USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= 1.39 K(o=1.7,f=-0.75) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -116:sc= 0.309 (180deg=0) USER MOD Set 2.1: A 28 GLN : amide:sc= -1.12 K(o=-2.1,f=0) USER MOD Set 2.2: A 37 ASN : amide:sc= -1.01 K(o=-2.1,f=0.2) USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot -153:sc= 1.12 USER MOD Set 4.1: A 4 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 8 TYR OH : rot 147:sc= 0.149 USER MOD Single : A 1 GLU N :NH3+ -169:sc= 1.42 (180deg=1.15) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00373 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.6) USER MOD Single : A 12 ASN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.978 K(o=0.98,f=-1.8) USER MOD Single : A 24 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.641 K(o=0.64,f=-6.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.437 K(o=0.44,f=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0.77 (180deg=0.636) USER MOD Single : A 68 THR OG1 : rot -64:sc= 0.126 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.239) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= -0.0584 (180deg=-0.124) USER MOD Single : A 74 HIS : no HE2:sc= 0.353 K(o=0.35,f=-5.2!) USER MOD Single : A 77 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 0.861 (180deg=0.856) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0179 (180deg=-0.394) USER MOD Single : A 90 TYR OH : rot -156:sc= 0.00194 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -14:sc= 0.841 USER MOD Single : A 97 SER OG : rot -75:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 15:sc= -0.183 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.6!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -17.859 -3.236 1.588 1.00 0.00 N ATOM 2 CA GLU A 1 -16.967 -4.233 0.938 1.00 0.00 C ATOM 3 C GLU A 1 -17.063 -5.595 1.638 1.00 0.00 C ATOM 4 O GLU A 1 -17.464 -5.671 2.800 1.00 0.00 O ATOM 5 CB GLU A 1 -15.501 -3.749 0.878 1.00 0.00 C ATOM 6 CG GLU A 1 -15.208 -2.751 -0.254 1.00 0.00 C ATOM 7 CD GLU A 1 -15.813 -1.360 -0.009 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.052 -1.226 -0.138 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.063 -0.417 0.331 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.920 -2.385 0.993 1.00 0.00 H new ATOM 0 H2 GLU A 1 -18.808 -3.645 1.707 1.00 0.00 H new ATOM 0 H3 GLU A 1 -17.473 -2.980 2.519 1.00 0.00 H new ATOM 0 HA GLU A 1 -17.312 -4.348 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.245 -3.285 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.850 -4.615 0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.129 -2.654 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.598 -3.150 -1.191 1.00 0.00 H new ATOM 18 N GLU A 2 -16.725 -6.682 0.932 1.00 0.00 N ATOM 19 CA GLU A 2 -16.659 -8.044 1.497 1.00 0.00 C ATOM 20 C GLU A 2 -15.639 -8.173 2.649 1.00 0.00 C ATOM 21 O GLU A 2 -14.682 -7.395 2.734 1.00 0.00 O ATOM 22 CB GLU A 2 -16.384 -9.070 0.381 1.00 0.00 C ATOM 23 CG GLU A 2 -14.991 -8.965 -0.259 1.00 0.00 C ATOM 24 CD GLU A 2 -14.870 -9.929 -1.456 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.592 -11.136 -1.247 1.00 0.00 O ATOM 26 OE2 GLU A 2 -15.069 -9.490 -2.616 1.00 0.00 O ATOM 0 H GLU A 2 -16.486 -6.644 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.632 -8.256 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.506 -10.073 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.137 -8.950 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.813 -7.942 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.226 -9.198 0.482 1.00 0.00 H new ATOM 33 N LYS A 3 -15.841 -9.154 3.544 1.00 0.00 N ATOM 34 CA LYS A 3 -15.100 -9.260 4.814 1.00 0.00 C ATOM 35 C LYS A 3 -14.956 -10.698 5.331 1.00 0.00 C ATOM 36 O LYS A 3 -15.937 -11.434 5.438 1.00 0.00 O ATOM 37 CB LYS A 3 -15.761 -8.329 5.850 1.00 0.00 C ATOM 38 CG LYS A 3 -17.244 -8.602 6.163 1.00 0.00 C ATOM 39 CD LYS A 3 -17.821 -7.472 7.028 1.00 0.00 C ATOM 40 CE LYS A 3 -19.313 -7.713 7.290 1.00 0.00 C ATOM 41 NZ LYS A 3 -19.915 -6.617 8.095 1.00 0.00 N ATOM 0 H LYS A 3 -16.525 -9.899 3.408 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.074 -8.940 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.197 -8.397 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.669 -7.302 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.810 -8.684 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.344 -9.555 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.283 -7.418 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.683 -6.514 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.840 -7.798 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.442 -8.661 7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.924 -6.815 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.429 -6.552 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.814 -5.716 7.585 1.00 0.00 H new ATOM 55 N TYR A 4 -13.715 -11.081 5.639 1.00 0.00 N ATOM 56 CA TYR A 4 -13.287 -12.387 6.154 1.00 0.00 C ATOM 57 C TYR A 4 -11.842 -12.309 6.706 1.00 0.00 C ATOM 58 O TYR A 4 -11.183 -11.269 6.604 1.00 0.00 O ATOM 59 CB TYR A 4 -13.406 -13.443 5.039 1.00 0.00 C ATOM 60 CG TYR A 4 -12.496 -13.225 3.843 1.00 0.00 C ATOM 61 CD1 TYR A 4 -12.857 -12.321 2.821 1.00 0.00 C ATOM 62 CD2 TYR A 4 -11.278 -13.925 3.760 1.00 0.00 C ATOM 63 CE1 TYR A 4 -11.990 -12.100 1.734 1.00 0.00 C ATOM 64 CE2 TYR A 4 -10.411 -13.708 2.676 1.00 0.00 C ATOM 65 CZ TYR A 4 -10.762 -12.797 1.657 1.00 0.00 C ATOM 66 OH TYR A 4 -9.916 -12.606 0.609 1.00 0.00 O ATOM 0 H TYR A 4 -12.926 -10.444 5.528 1.00 0.00 H new ATOM 0 HA TYR A 4 -13.935 -12.680 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -13.192 -14.423 5.465 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -14.439 -13.466 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.800 -11.798 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.009 -14.631 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.263 -11.399 0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.473 -14.240 2.622 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.035 -12.974 0.829 1.00 0.00 H new ATOM 76 N THR A 5 -11.340 -13.392 7.309 1.00 0.00 N ATOM 77 CA THR A 5 -9.995 -13.468 7.923 1.00 0.00 C ATOM 78 C THR A 5 -8.845 -13.502 6.902 1.00 0.00 C ATOM 79 O THR A 5 -8.870 -14.272 5.943 1.00 0.00 O ATOM 80 CB THR A 5 -9.881 -14.710 8.824 1.00 0.00 C ATOM 81 OG1 THR A 5 -10.324 -15.871 8.147 1.00 0.00 O ATOM 82 CG2 THR A 5 -10.732 -14.585 10.087 1.00 0.00 C ATOM 0 H THR A 5 -11.863 -14.264 7.390 1.00 0.00 H new ATOM 0 HA THR A 5 -9.893 -12.551 8.504 1.00 0.00 H new ATOM 0 HB THR A 5 -8.827 -14.787 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.240 -16.647 8.739 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.620 -15.485 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.405 -13.718 10.662 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.779 -14.463 9.810 1.00 0.00 H new ATOM 90 N THR A 6 -7.790 -12.713 7.138 1.00 0.00 N ATOM 91 CA THR A 6 -6.597 -12.622 6.267 1.00 0.00 C ATOM 92 C THR A 6 -5.581 -13.726 6.585 1.00 0.00 C ATOM 93 O THR A 6 -4.795 -13.596 7.524 1.00 0.00 O ATOM 94 CB THR A 6 -5.940 -11.230 6.395 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.859 -10.241 5.977 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.690 -11.044 5.529 1.00 0.00 C ATOM 0 H THR A 6 -7.734 -12.105 7.955 1.00 0.00 H new ATOM 0 HA THR A 6 -6.927 -12.762 5.238 1.00 0.00 H new ATOM 0 HB THR A 6 -5.652 -11.141 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.446 -9.356 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.291 -10.041 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.938 -11.780 5.813 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.951 -11.179 4.479 1.00 0.00 H new ATOM 104 N LYS A 7 -5.600 -14.824 5.814 1.00 0.00 N ATOM 105 CA LYS A 7 -4.608 -15.913 5.845 1.00 0.00 C ATOM 106 C LYS A 7 -4.666 -16.785 4.581 1.00 0.00 C ATOM 107 O LYS A 7 -5.716 -17.313 4.221 1.00 0.00 O ATOM 108 CB LYS A 7 -4.769 -16.774 7.122 1.00 0.00 C ATOM 109 CG LYS A 7 -6.173 -16.934 7.752 1.00 0.00 C ATOM 110 CD LYS A 7 -7.274 -17.508 6.847 1.00 0.00 C ATOM 111 CE LYS A 7 -6.975 -18.954 6.428 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.879 -19.394 5.336 1.00 0.00 N ATOM 0 H LYS A 7 -6.335 -14.985 5.125 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.622 -15.448 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.396 -17.772 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.113 -16.355 7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.082 -17.577 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.500 -15.957 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.229 -17.472 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.374 -16.886 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.939 -19.033 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.089 -19.615 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.654 -20.375 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.866 -19.340 5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.751 -18.776 4.509 1.00 0.00 H new ATOM 126 N TYR A 8 -3.516 -16.976 3.941 1.00 0.00 N ATOM 127 CA TYR A 8 -3.319 -17.876 2.798 1.00 0.00 C ATOM 128 C TYR A 8 -1.886 -18.422 2.834 1.00 0.00 C ATOM 129 O TYR A 8 -0.948 -17.639 2.953 1.00 0.00 O ATOM 130 CB TYR A 8 -3.552 -17.111 1.482 1.00 0.00 C ATOM 131 CG TYR A 8 -4.997 -16.748 1.181 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.803 -17.639 0.444 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.533 -15.518 1.618 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.129 -17.293 0.122 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.859 -15.169 1.299 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.658 -16.051 0.534 1.00 0.00 C ATOM 137 OH TYR A 8 -8.929 -15.713 0.182 1.00 0.00 O ATOM 0 H TYR A 8 -2.660 -16.492 4.211 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.029 -18.701 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.963 -16.194 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.169 -17.714 0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.402 -18.590 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.924 -14.842 2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.743 -17.980 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.266 -14.228 1.638 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.330 -15.166 0.889 1.00 0.00 H new ATOM 147 N ASP A 9 -1.711 -19.746 2.747 1.00 0.00 N ATOM 148 CA ASP A 9 -0.409 -20.451 2.760 1.00 0.00 C ATOM 149 C ASP A 9 0.596 -19.942 3.829 1.00 0.00 C ATOM 150 O ASP A 9 1.794 -19.797 3.570 1.00 0.00 O ATOM 151 CB ASP A 9 0.175 -20.484 1.335 1.00 0.00 C ATOM 152 CG ASP A 9 -0.732 -21.242 0.352 1.00 0.00 C ATOM 153 OD1 ASP A 9 -0.878 -22.481 0.496 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.292 -20.611 -0.578 1.00 0.00 O ATOM 0 H ASP A 9 -2.499 -20.387 2.662 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.601 -21.475 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.320 -19.464 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.157 -20.956 1.358 1.00 0.00 H new ATOM 159 N ASN A 10 0.096 -19.658 5.040 1.00 0.00 N ATOM 160 CA ASN A 10 0.822 -19.020 6.151 1.00 0.00 C ATOM 161 C ASN A 10 1.510 -17.692 5.784 1.00 0.00 C ATOM 162 O ASN A 10 2.724 -17.515 5.919 1.00 0.00 O ATOM 163 CB ASN A 10 1.714 -20.056 6.867 1.00 0.00 C ATOM 164 CG ASN A 10 2.305 -19.535 8.171 1.00 0.00 C ATOM 165 OD1 ASN A 10 1.716 -18.728 8.880 1.00 0.00 O ATOM 166 ND2 ASN A 10 3.483 -19.985 8.543 1.00 0.00 N ATOM 0 H ASN A 10 -0.870 -19.876 5.284 1.00 0.00 H new ATOM 0 HA ASN A 10 0.087 -18.685 6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.127 -20.951 7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.524 -20.352 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.900 -19.662 9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.980 -20.657 7.958 1.00 0.00 H new ATOM 173 N VAL A 11 0.680 -16.736 5.357 1.00 0.00 N ATOM 174 CA VAL A 11 1.043 -15.341 5.077 1.00 0.00 C ATOM 175 C VAL A 11 -0.018 -14.413 5.668 1.00 0.00 C ATOM 176 O VAL A 11 -1.210 -14.726 5.644 1.00 0.00 O ATOM 177 CB VAL A 11 1.176 -15.084 3.560 1.00 0.00 C ATOM 178 CG1 VAL A 11 1.821 -13.718 3.319 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.048 -16.123 2.847 1.00 0.00 C ATOM 0 H VAL A 11 -0.309 -16.920 5.189 1.00 0.00 H new ATOM 0 HA VAL A 11 2.011 -15.141 5.536 1.00 0.00 H new ATOM 0 HB VAL A 11 0.164 -15.138 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.912 -13.543 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.201 -12.939 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.811 -13.697 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.101 -15.886 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.051 -16.109 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.612 -17.114 2.976 1.00 0.00 H new ATOM 189 N ASN A 12 0.415 -13.277 6.211 1.00 0.00 N ATOM 190 CA ASN A 12 -0.399 -12.209 6.803 1.00 0.00 C ATOM 191 C ASN A 12 0.227 -10.841 6.480 1.00 0.00 C ATOM 192 O ASN A 12 1.377 -10.746 6.046 1.00 0.00 O ATOM 193 CB ASN A 12 -0.440 -12.378 8.336 1.00 0.00 C ATOM 194 CG ASN A 12 -1.612 -13.166 8.905 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.228 -12.773 9.885 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.979 -14.286 8.336 1.00 0.00 N ATOM 0 H ASN A 12 1.411 -13.060 6.254 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.407 -12.265 6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.483 -12.866 8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.445 -11.386 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.767 -14.814 8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.477 -14.630 7.517 1.00 0.00 H new ATOM 203 N LEU A 13 -0.513 -9.770 6.776 1.00 0.00 N ATOM 204 CA LEU A 13 -0.049 -8.390 6.631 1.00 0.00 C ATOM 205 C LEU A 13 1.249 -8.062 7.376 1.00 0.00 C ATOM 206 O LEU A 13 2.057 -7.297 6.862 1.00 0.00 O ATOM 207 CB LEU A 13 -1.161 -7.437 7.099 1.00 0.00 C ATOM 208 CG LEU A 13 -1.867 -6.738 5.934 1.00 0.00 C ATOM 209 CD1 LEU A 13 -2.931 -5.816 6.536 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.893 -5.902 5.105 1.00 0.00 C ATOM 0 H LEU A 13 -1.467 -9.840 7.129 1.00 0.00 H new ATOM 0 HA LEU A 13 0.181 -8.260 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.894 -7.997 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.735 -6.686 7.764 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.303 -7.487 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.458 -5.298 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.641 -6.408 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.452 -5.085 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.431 -5.421 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.438 -5.140 5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.115 -6.548 4.698 1.00 0.00 H new ATOM 222 N ASP A 14 1.486 -8.622 8.561 1.00 0.00 N ATOM 223 CA ASP A 14 2.715 -8.327 9.306 1.00 0.00 C ATOM 224 C ASP A 14 3.985 -8.753 8.555 1.00 0.00 C ATOM 225 O ASP A 14 4.992 -8.049 8.595 1.00 0.00 O ATOM 226 CB ASP A 14 2.661 -8.940 10.703 1.00 0.00 C ATOM 227 CG ASP A 14 2.879 -10.461 10.737 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.996 -11.206 10.253 1.00 0.00 O ATOM 229 OD2 ASP A 14 3.921 -10.912 11.270 1.00 0.00 O ATOM 0 H ASP A 14 0.854 -9.275 9.024 1.00 0.00 H new ATOM 0 HA ASP A 14 2.772 -7.243 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.418 -8.463 11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.692 -8.714 11.149 1.00 0.00 H new ATOM 234 N GLU A 15 3.915 -9.853 7.800 1.00 0.00 N ATOM 235 CA GLU A 15 4.981 -10.276 6.891 1.00 0.00 C ATOM 236 C GLU A 15 5.082 -9.339 5.674 1.00 0.00 C ATOM 237 O GLU A 15 6.179 -9.116 5.181 1.00 0.00 O ATOM 238 CB GLU A 15 4.744 -11.736 6.458 1.00 0.00 C ATOM 239 CG GLU A 15 5.925 -12.365 5.698 1.00 0.00 C ATOM 240 CD GLU A 15 7.212 -12.583 6.523 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.157 -12.684 7.773 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.301 -12.682 5.902 1.00 0.00 O ATOM 0 H GLU A 15 3.110 -10.479 7.803 1.00 0.00 H new ATOM 0 HA GLU A 15 5.934 -10.218 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.534 -12.337 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.856 -11.777 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.605 -13.327 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.165 -11.729 4.846 1.00 0.00 H new ATOM 249 N ILE A 16 3.980 -8.738 5.210 1.00 0.00 N ATOM 250 CA ILE A 16 3.969 -7.844 4.023 1.00 0.00 C ATOM 251 C ILE A 16 4.890 -6.639 4.218 1.00 0.00 C ATOM 252 O ILE A 16 5.844 -6.458 3.463 1.00 0.00 O ATOM 253 CB ILE A 16 2.514 -7.480 3.593 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.821 -8.721 2.991 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.377 -6.303 2.622 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.447 -9.198 1.661 1.00 0.00 C ATOM 0 H ILE A 16 3.063 -8.852 5.641 1.00 0.00 H new ATOM 0 HA ILE A 16 4.388 -8.389 3.178 1.00 0.00 H new ATOM 0 HB ILE A 16 2.030 -7.150 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.862 -9.536 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.768 -8.494 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.324 -6.141 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.792 -5.404 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.918 -6.525 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.908 -10.073 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.382 -8.400 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.493 -9.458 1.824 1.00 0.00 H new ATOM 268 N LEU A 17 4.687 -5.869 5.282 1.00 0.00 N ATOM 269 CA LEU A 17 5.526 -4.709 5.614 1.00 0.00 C ATOM 270 C LEU A 17 6.937 -5.135 6.058 1.00 0.00 C ATOM 271 O LEU A 17 7.908 -4.434 5.767 1.00 0.00 O ATOM 272 CB LEU A 17 4.885 -3.831 6.715 1.00 0.00 C ATOM 273 CG LEU A 17 3.722 -4.461 7.508 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.455 -3.703 8.796 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.430 -4.331 6.715 1.00 0.00 C ATOM 0 H LEU A 17 3.931 -6.029 5.948 1.00 0.00 H new ATOM 0 HA LEU A 17 5.607 -4.120 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.665 -3.547 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.524 -2.913 6.252 1.00 0.00 H new ATOM 0 HG LEU A 17 4.004 -5.496 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.630 -4.173 9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.348 -3.720 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.195 -2.670 8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.611 -4.777 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.217 -3.277 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.536 -4.846 5.760 1.00 0.00 H new ATOM 287 N ALA A 18 7.056 -6.267 6.764 1.00 0.00 N ATOM 288 CA ALA A 18 8.339 -6.768 7.254 1.00 0.00 C ATOM 289 C ALA A 18 9.234 -7.351 6.135 1.00 0.00 C ATOM 290 O ALA A 18 10.457 -7.409 6.286 1.00 0.00 O ATOM 291 CB ALA A 18 8.078 -7.830 8.325 1.00 0.00 C ATOM 0 H ALA A 18 6.263 -6.859 7.010 1.00 0.00 H new ATOM 0 HA ALA A 18 8.885 -5.922 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.028 -8.211 8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.517 -7.387 9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.503 -8.649 7.893 1.00 0.00 H new ATOM 297 N ASN A 19 8.634 -7.768 5.016 1.00 0.00 N ATOM 298 CA ASN A 19 9.272 -8.465 3.903 1.00 0.00 C ATOM 299 C ASN A 19 9.133 -7.646 2.614 1.00 0.00 C ATOM 300 O ASN A 19 8.221 -7.844 1.808 1.00 0.00 O ATOM 301 CB ASN A 19 8.701 -9.886 3.760 1.00 0.00 C ATOM 302 CG ASN A 19 9.681 -10.821 3.083 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.350 -10.465 2.126 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.822 -12.029 3.570 1.00 0.00 N ATOM 0 H ASN A 19 7.638 -7.619 4.857 1.00 0.00 H new ATOM 0 HA ASN A 19 10.338 -8.569 4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.448 -10.277 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.776 -9.850 3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.492 -12.673 3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.262 -12.325 4.370 1.00 0.00 H new ATOM 311 N ASP A 20 10.053 -6.707 2.404 1.00 0.00 N ATOM 312 CA ASP A 20 10.075 -5.862 1.208 1.00 0.00 C ATOM 313 C ASP A 20 10.088 -6.653 -0.113 1.00 0.00 C ATOM 314 O ASP A 20 9.600 -6.148 -1.121 1.00 0.00 O ATOM 315 CB ASP A 20 11.270 -4.903 1.268 1.00 0.00 C ATOM 316 CG ASP A 20 12.628 -5.611 1.115 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.106 -6.222 2.101 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.215 -5.557 0.010 1.00 0.00 O ATOM 0 H ASP A 20 10.808 -6.509 3.060 1.00 0.00 H new ATOM 0 HA ASP A 20 9.141 -5.300 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.167 -4.156 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.251 -4.370 2.218 1.00 0.00 H new ATOM 323 N ARG A 21 10.587 -7.898 -0.116 1.00 0.00 N ATOM 324 CA ARG A 21 10.508 -8.816 -1.271 1.00 0.00 C ATOM 325 C ARG A 21 9.059 -9.080 -1.703 1.00 0.00 C ATOM 326 O ARG A 21 8.770 -9.089 -2.901 1.00 0.00 O ATOM 327 CB ARG A 21 11.198 -10.167 -0.995 1.00 0.00 C ATOM 328 CG ARG A 21 12.577 -10.074 -0.317 1.00 0.00 C ATOM 329 CD ARG A 21 13.225 -11.456 -0.151 1.00 0.00 C ATOM 330 NE ARG A 21 13.546 -12.088 -1.448 1.00 0.00 N ATOM 331 CZ ARG A 21 13.809 -13.366 -1.662 1.00 0.00 C ATOM 332 NH1 ARG A 21 13.845 -14.240 -0.695 1.00 0.00 N ATOM 333 NH2 ARG A 21 14.044 -13.798 -2.868 1.00 0.00 N ATOM 0 H ARG A 21 11.062 -8.304 0.690 1.00 0.00 H new ATOM 0 HA ARG A 21 11.035 -8.308 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.542 -10.770 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.311 -10.699 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.231 -9.435 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.471 -9.603 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.137 -11.358 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.552 -12.105 0.409 1.00 0.00 H new ATOM 0 HE ARG A 21 13.567 -11.474 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.667 -13.946 0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.051 -15.218 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 21 14.026 -13.149 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.246 -14.785 -3.026 1.00 0.00 H new ATOM 347 N LEU A 22 8.148 -9.252 -0.737 1.00 0.00 N ATOM 348 CA LEU A 22 6.702 -9.308 -0.985 1.00 0.00 C ATOM 349 C LEU A 22 6.186 -7.924 -1.387 1.00 0.00 C ATOM 350 O LEU A 22 5.485 -7.785 -2.389 1.00 0.00 O ATOM 351 CB LEU A 22 5.935 -9.769 0.272 1.00 0.00 C ATOM 352 CG LEU A 22 6.412 -11.075 0.921 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.650 -11.334 2.217 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.164 -12.286 0.037 1.00 0.00 C ATOM 0 H LEU A 22 8.396 -9.357 0.247 1.00 0.00 H new ATOM 0 HA LEU A 22 6.534 -10.025 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.993 -8.976 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.884 -9.883 0.008 1.00 0.00 H new ATOM 0 HG LEU A 22 7.481 -10.948 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.000 -12.264 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.821 -10.510 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.584 -11.413 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.519 -13.184 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.096 -12.379 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.698 -12.164 -0.905 1.00 0.00 H new ATOM 366 N LEU A 23 6.559 -6.892 -0.622 1.00 0.00 N ATOM 367 CA LEU A 23 6.030 -5.541 -0.793 1.00 0.00 C ATOM 368 C LEU A 23 6.282 -5.006 -2.221 1.00 0.00 C ATOM 369 O LEU A 23 5.366 -4.506 -2.868 1.00 0.00 O ATOM 370 CB LEU A 23 6.615 -4.612 0.295 1.00 0.00 C ATOM 371 CG LEU A 23 5.659 -3.515 0.771 1.00 0.00 C ATOM 372 CD1 LEU A 23 4.979 -2.778 -0.378 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.625 -4.129 1.701 1.00 0.00 C ATOM 0 H LEU A 23 7.238 -6.974 0.134 1.00 0.00 H new ATOM 0 HA LEU A 23 4.947 -5.568 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.910 -5.217 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.521 -4.145 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 23 6.248 -2.767 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.314 -2.013 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.735 -2.308 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.401 -3.485 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.940 -3.354 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.066 -4.897 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.127 -4.576 2.559 1.00 0.00 H new ATOM 385 N ASN A 24 7.495 -5.188 -2.754 1.00 0.00 N ATOM 386 CA ASN A 24 7.878 -4.786 -4.116 1.00 0.00 C ATOM 387 C ASN A 24 6.970 -5.381 -5.206 1.00 0.00 C ATOM 388 O ASN A 24 6.687 -4.700 -6.190 1.00 0.00 O ATOM 389 CB ASN A 24 9.351 -5.139 -4.385 1.00 0.00 C ATOM 390 CG ASN A 24 10.291 -4.045 -3.910 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.692 -3.161 -4.651 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.655 -4.052 -2.651 1.00 0.00 N ATOM 0 H ASN A 24 8.257 -5.629 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 24 7.748 -3.705 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.598 -6.074 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.496 -5.304 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.271 -3.321 -2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.323 -4.788 -2.028 1.00 0.00 H new ATOM 399 N LYS A 25 6.462 -6.608 -5.023 1.00 0.00 N ATOM 400 CA LYS A 25 5.474 -7.228 -5.925 1.00 0.00 C ATOM 401 C LYS A 25 4.103 -6.552 -5.787 1.00 0.00 C ATOM 402 O LYS A 25 3.471 -6.210 -6.787 1.00 0.00 O ATOM 403 CB LYS A 25 5.409 -8.740 -5.627 1.00 0.00 C ATOM 404 CG LYS A 25 4.469 -9.500 -6.575 1.00 0.00 C ATOM 405 CD LYS A 25 4.284 -10.976 -6.185 1.00 0.00 C ATOM 406 CE LYS A 25 5.569 -11.819 -6.242 1.00 0.00 C ATOM 407 NZ LYS A 25 6.059 -12.011 -7.634 1.00 0.00 N ATOM 0 H LYS A 25 6.726 -7.205 -4.239 1.00 0.00 H new ATOM 0 HA LYS A 25 5.781 -7.090 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.411 -9.163 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.077 -8.888 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.496 -9.008 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.864 -9.445 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.879 -11.023 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.542 -11.423 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.345 -11.334 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.383 -12.792 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.926 -12.585 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.330 -12.498 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.263 -11.085 -8.061 1.00 0.00 H new ATOM 421 N TYR A 26 3.675 -6.307 -4.548 1.00 0.00 N ATOM 422 CA TYR A 26 2.392 -5.675 -4.218 1.00 0.00 C ATOM 423 C TYR A 26 2.295 -4.234 -4.749 1.00 0.00 C ATOM 424 O TYR A 26 1.227 -3.829 -5.208 1.00 0.00 O ATOM 425 CB TYR A 26 2.156 -5.726 -2.695 1.00 0.00 C ATOM 426 CG TYR A 26 1.649 -7.053 -2.140 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.279 -8.274 -2.457 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.533 -7.060 -1.280 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.785 -9.490 -1.951 1.00 0.00 C ATOM 430 CE2 TYR A 26 0.030 -8.273 -0.771 1.00 0.00 C ATOM 431 CZ TYR A 26 0.643 -9.495 -1.123 1.00 0.00 C ATOM 432 OH TYR A 26 0.137 -10.673 -0.669 1.00 0.00 O ATOM 0 H TYR A 26 4.224 -6.548 -3.723 1.00 0.00 H new ATOM 0 HA TYR A 26 1.605 -6.240 -4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.092 -5.480 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.439 -4.948 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.150 -8.276 -3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.060 -6.128 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.279 -10.418 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.825 -8.268 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.649 -10.498 -0.111 1.00 0.00 H new ATOM 442 N VAL A 27 3.396 -3.471 -4.757 1.00 0.00 N ATOM 443 CA VAL A 27 3.462 -2.138 -5.398 1.00 0.00 C ATOM 444 C VAL A 27 3.571 -2.219 -6.918 1.00 0.00 C ATOM 445 O VAL A 27 2.884 -1.474 -7.608 1.00 0.00 O ATOM 446 CB VAL A 27 4.575 -1.241 -4.819 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.322 -0.993 -3.334 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.975 -1.830 -4.958 1.00 0.00 C ATOM 0 H VAL A 27 4.272 -3.756 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 27 2.510 -1.665 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 27 4.540 -0.319 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.112 -0.359 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.359 -0.498 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.314 -1.945 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.703 -1.142 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.022 -2.784 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.201 -1.985 -6.013 1.00 0.00 H new ATOM 458 N GLN A 28 4.342 -3.159 -7.475 1.00 0.00 N ATOM 459 CA GLN A 28 4.469 -3.362 -8.932 1.00 0.00 C ATOM 460 C GLN A 28 3.117 -3.480 -9.653 1.00 0.00 C ATOM 461 O GLN A 28 2.999 -3.039 -10.794 1.00 0.00 O ATOM 462 CB GLN A 28 5.290 -4.633 -9.202 1.00 0.00 C ATOM 463 CG GLN A 28 6.577 -4.338 -9.981 1.00 0.00 C ATOM 464 CD GLN A 28 7.619 -5.443 -9.816 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.673 -5.264 -9.221 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.369 -6.632 -10.324 1.00 0.00 N ATOM 0 H GLN A 28 4.903 -3.810 -6.926 1.00 0.00 H new ATOM 0 HA GLN A 28 4.968 -2.477 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.542 -5.108 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.683 -5.343 -9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.340 -4.219 -11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.997 -3.392 -9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.496 -6.800 -10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.049 -7.385 -10.218 1.00 0.00 H new ATOM 475 N CYS A 29 2.101 -4.005 -8.955 1.00 0.00 N ATOM 476 CA CYS A 29 0.696 -4.071 -9.364 1.00 0.00 C ATOM 477 C CYS A 29 0.128 -2.775 -9.976 1.00 0.00 C ATOM 478 O CYS A 29 -0.737 -2.831 -10.854 1.00 0.00 O ATOM 479 CB CYS A 29 -0.109 -4.476 -8.121 1.00 0.00 C ATOM 480 SG CYS A 29 -1.914 -4.565 -8.268 1.00 0.00 S ATOM 0 H CYS A 29 2.250 -4.419 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 29 0.618 -4.798 -10.173 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.248 -5.453 -7.796 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.127 -3.769 -7.325 1.00 0.00 H new ATOM 485 N LEU A 30 0.631 -1.617 -9.536 1.00 0.00 N ATOM 486 CA LEU A 30 0.245 -0.294 -10.030 1.00 0.00 C ATOM 487 C LEU A 30 1.443 0.623 -10.372 1.00 0.00 C ATOM 488 O LEU A 30 1.254 1.664 -11.004 1.00 0.00 O ATOM 489 CB LEU A 30 -0.796 0.348 -9.081 1.00 0.00 C ATOM 490 CG LEU A 30 -0.478 0.533 -7.579 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.455 -0.769 -6.771 1.00 0.00 C ATOM 492 CD2 LEU A 30 0.845 1.246 -7.332 1.00 0.00 C ATOM 0 H LEU A 30 1.340 -1.575 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.240 -0.432 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.034 1.333 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.704 -0.251 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.309 1.147 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.224 -0.547 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.430 -1.252 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.306 -1.436 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.010 1.345 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.658 0.668 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.815 2.236 -7.787 1.00 0.00 H new ATOM 504 N LEU A 31 2.670 0.237 -9.993 1.00 0.00 N ATOM 505 CA LEU A 31 3.919 0.922 -10.349 1.00 0.00 C ATOM 506 C LEU A 31 4.299 0.643 -11.816 1.00 0.00 C ATOM 507 O LEU A 31 4.581 1.583 -12.561 1.00 0.00 O ATOM 508 CB LEU A 31 5.008 0.545 -9.307 1.00 0.00 C ATOM 509 CG LEU A 31 6.415 0.133 -9.778 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.200 1.283 -10.393 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.226 -0.388 -8.589 1.00 0.00 C ATOM 0 H LEU A 31 2.824 -0.587 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 31 3.801 2.005 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.127 1.398 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.613 -0.276 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 31 6.267 -0.633 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.182 0.928 -10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.662 1.669 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.319 2.078 -9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.221 -0.678 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.313 0.396 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.723 -1.253 -8.156 1.00 0.00 H new ATOM 523 N GLU A 32 4.285 -0.622 -12.253 1.00 0.00 N ATOM 524 CA GLU A 32 4.619 -0.981 -13.639 1.00 0.00 C ATOM 525 C GLU A 32 3.420 -0.814 -14.599 1.00 0.00 C ATOM 526 O GLU A 32 2.269 -0.659 -14.184 1.00 0.00 O ATOM 527 CB GLU A 32 5.186 -2.413 -13.721 1.00 0.00 C ATOM 528 CG GLU A 32 6.652 -2.470 -13.263 1.00 0.00 C ATOM 529 CD GLU A 32 7.339 -3.802 -13.638 1.00 0.00 C ATOM 530 OE1 GLU A 32 6.707 -4.883 -13.540 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.532 -3.774 -14.027 1.00 0.00 O ATOM 0 H GLU A 32 4.045 -1.419 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 32 5.390 -0.282 -13.964 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.585 -3.079 -13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.110 -2.776 -14.746 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.202 -1.643 -13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.697 -2.334 -12.183 1.00 0.00 H new ATOM 538 N ASP A 33 3.685 -0.884 -15.909 1.00 0.00 N ATOM 539 CA ASP A 33 2.685 -0.835 -16.991 1.00 0.00 C ATOM 540 C ASP A 33 1.824 -2.120 -17.127 1.00 0.00 C ATOM 541 O ASP A 33 1.017 -2.234 -18.053 1.00 0.00 O ATOM 542 CB ASP A 33 3.408 -0.526 -18.314 1.00 0.00 C ATOM 543 CG ASP A 33 4.088 0.853 -18.299 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.385 1.878 -18.478 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.328 0.918 -18.121 1.00 0.00 O ATOM 0 H ASP A 33 4.637 -0.980 -16.262 1.00 0.00 H new ATOM 0 HA ASP A 33 1.976 -0.047 -16.736 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.156 -1.295 -18.505 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.692 -0.567 -19.135 1.00 0.00 H new ATOM 550 N ASP A 34 1.972 -3.089 -16.216 1.00 0.00 N ATOM 551 CA ASP A 34 1.296 -4.396 -16.219 1.00 0.00 C ATOM 552 C ASP A 34 0.797 -4.783 -14.812 1.00 0.00 C ATOM 553 O ASP A 34 1.344 -4.346 -13.797 1.00 0.00 O ATOM 554 CB ASP A 34 2.259 -5.477 -16.740 1.00 0.00 C ATOM 555 CG ASP A 34 2.556 -5.335 -18.242 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.687 -5.711 -19.067 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.672 -4.891 -18.607 1.00 0.00 O ATOM 0 H ASP A 34 2.596 -2.980 -15.417 1.00 0.00 H new ATOM 0 HA ASP A 34 0.428 -4.322 -16.875 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.194 -5.424 -16.183 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.831 -6.461 -16.550 1.00 0.00 H new ATOM 562 N GLU A 35 -0.223 -5.645 -14.749 1.00 0.00 N ATOM 563 CA GLU A 35 -0.962 -5.991 -13.517 1.00 0.00 C ATOM 564 C GLU A 35 -0.805 -7.460 -13.076 1.00 0.00 C ATOM 565 O GLU A 35 -1.430 -7.911 -12.116 1.00 0.00 O ATOM 566 CB GLU A 35 -2.437 -5.571 -13.667 1.00 0.00 C ATOM 567 CG GLU A 35 -3.190 -6.339 -14.764 1.00 0.00 C ATOM 568 CD GLU A 35 -4.656 -5.872 -14.860 1.00 0.00 C ATOM 569 OE1 GLU A 35 -4.936 -4.878 -15.575 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.544 -6.502 -14.236 1.00 0.00 O ATOM 0 H GLU A 35 -0.571 -6.138 -15.571 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.512 -5.426 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.947 -5.721 -12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.481 -4.504 -13.887 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.694 -6.190 -15.723 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.158 -7.408 -14.552 1.00 0.00 H new ATOM 577 N SER A 36 0.075 -8.210 -13.741 1.00 0.00 N ATOM 578 CA SER A 36 0.369 -9.628 -13.456 1.00 0.00 C ATOM 579 C SER A 36 0.896 -9.888 -12.033 1.00 0.00 C ATOM 580 O SER A 36 0.808 -11.009 -11.530 1.00 0.00 O ATOM 581 CB SER A 36 1.401 -10.156 -14.460 1.00 0.00 C ATOM 582 OG SER A 36 1.006 -9.889 -15.799 1.00 0.00 O ATOM 0 H SER A 36 0.623 -7.842 -14.518 1.00 0.00 H new ATOM 0 HA SER A 36 -0.583 -10.150 -13.545 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.369 -9.694 -14.266 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.527 -11.230 -14.324 1.00 0.00 H new ATOM 0 HG SER A 36 1.684 -10.236 -16.415 1.00 0.00 H new ATOM 588 N ASN A 37 1.437 -8.855 -11.374 1.00 0.00 N ATOM 589 CA ASN A 37 1.977 -8.912 -10.012 1.00 0.00 C ATOM 590 C ASN A 37 0.917 -8.710 -8.905 1.00 0.00 C ATOM 591 O ASN A 37 1.220 -8.913 -7.731 1.00 0.00 O ATOM 592 CB ASN A 37 3.109 -7.873 -9.907 1.00 0.00 C ATOM 593 CG ASN A 37 4.313 -8.260 -10.749 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.977 -9.254 -10.497 1.00 0.00 O ATOM 595 ND2 ASN A 37 4.642 -7.498 -11.769 1.00 0.00 N ATOM 0 H ASN A 37 1.513 -7.926 -11.789 1.00 0.00 H new ATOM 0 HA ASN A 37 2.357 -9.919 -9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.739 -6.899 -10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.412 -7.771 -8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.448 -7.738 -12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.091 -6.667 -11.984 1.00 0.00 H new ATOM 602 N CYS A 38 -0.320 -8.325 -9.242 1.00 0.00 N ATOM 603 CA CYS A 38 -1.406 -8.182 -8.266 1.00 0.00 C ATOM 604 C CYS A 38 -1.834 -9.557 -7.705 1.00 0.00 C ATOM 605 O CYS A 38 -2.463 -10.350 -8.412 1.00 0.00 O ATOM 606 CB CYS A 38 -2.599 -7.475 -8.922 1.00 0.00 C ATOM 607 SG CYS A 38 -2.278 -5.895 -9.753 1.00 0.00 S ATOM 0 H CYS A 38 -0.596 -8.104 -10.199 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.047 -7.580 -7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.035 -8.157 -9.652 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.354 -7.305 -8.154 1.00 0.00 H new ATOM 612 N THR A 39 -1.494 -9.862 -6.448 1.00 0.00 N ATOM 613 CA THR A 39 -1.883 -11.123 -5.783 1.00 0.00 C ATOM 614 C THR A 39 -3.363 -11.126 -5.370 1.00 0.00 C ATOM 615 O THR A 39 -4.029 -10.086 -5.395 1.00 0.00 O ATOM 616 CB THR A 39 -1.006 -11.410 -4.552 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.250 -10.438 -3.568 1.00 0.00 O ATOM 618 CG2 THR A 39 0.491 -11.407 -4.867 1.00 0.00 C ATOM 0 H THR A 39 -0.940 -9.243 -5.856 1.00 0.00 H new ATOM 0 HA THR A 39 -1.729 -11.913 -6.518 1.00 0.00 H new ATOM 0 HB THR A 39 -1.272 -12.409 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.456 -10.339 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.055 -11.616 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.708 -12.173 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.779 -10.430 -5.256 1.00 0.00 H new ATOM 626 N ALA A 40 -3.884 -12.289 -4.958 1.00 0.00 N ATOM 627 CA ALA A 40 -5.289 -12.495 -4.577 1.00 0.00 C ATOM 628 C ALA A 40 -5.820 -11.542 -3.480 1.00 0.00 C ATOM 629 O ALA A 40 -7.020 -11.266 -3.444 1.00 0.00 O ATOM 630 CB ALA A 40 -5.461 -13.962 -4.158 1.00 0.00 C ATOM 0 H ALA A 40 -3.324 -13.138 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.894 -12.254 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.497 -14.139 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.200 -14.612 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.808 -14.178 -3.312 1.00 0.00 H new ATOM 636 N ASP A 41 -4.942 -11.006 -2.623 1.00 0.00 N ATOM 637 CA ASP A 41 -5.278 -10.017 -1.588 1.00 0.00 C ATOM 638 C ASP A 41 -4.424 -8.733 -1.647 1.00 0.00 C ATOM 639 O ASP A 41 -4.865 -7.698 -1.151 1.00 0.00 O ATOM 640 CB ASP A 41 -5.253 -10.669 -0.197 1.00 0.00 C ATOM 641 CG ASP A 41 -3.837 -11.035 0.275 1.00 0.00 C ATOM 642 OD1 ASP A 41 -3.303 -12.078 -0.172 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.274 -10.291 1.112 1.00 0.00 O ATOM 0 H ASP A 41 -3.953 -11.254 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.294 -9.680 -1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.705 -9.988 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.867 -11.569 -0.214 1.00 0.00 H new ATOM 648 N GLY A 42 -3.276 -8.736 -2.337 1.00 0.00 N ATOM 649 CA GLY A 42 -2.507 -7.527 -2.658 1.00 0.00 C ATOM 650 C GLY A 42 -3.255 -6.575 -3.592 1.00 0.00 C ATOM 651 O GLY A 42 -3.255 -5.359 -3.381 1.00 0.00 O ATOM 0 H GLY A 42 -2.849 -9.591 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.262 -7.003 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.563 -7.815 -3.121 1.00 0.00 H new ATOM 655 N LYS A 43 -3.980 -7.136 -4.569 1.00 0.00 N ATOM 656 CA LYS A 43 -4.974 -6.427 -5.390 1.00 0.00 C ATOM 657 C LYS A 43 -6.021 -5.703 -4.548 1.00 0.00 C ATOM 658 O LYS A 43 -6.302 -4.537 -4.807 1.00 0.00 O ATOM 659 CB LYS A 43 -5.665 -7.465 -6.298 1.00 0.00 C ATOM 660 CG LYS A 43 -6.694 -6.878 -7.283 1.00 0.00 C ATOM 661 CD LYS A 43 -7.840 -7.861 -7.565 1.00 0.00 C ATOM 662 CE LYS A 43 -7.354 -9.147 -8.248 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.489 -10.059 -8.554 1.00 0.00 N ATOM 0 H LYS A 43 -3.890 -8.121 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.460 -5.664 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.901 -7.996 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.164 -8.202 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.101 -5.953 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.197 -6.622 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.335 -8.116 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.584 -7.376 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.828 -8.896 -9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.639 -9.657 -7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.129 -10.919 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.975 -10.317 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.158 -9.580 -9.190 1.00 0.00 H new ATOM 677 N GLU A 44 -6.603 -6.378 -3.560 1.00 0.00 N ATOM 678 CA GLU A 44 -7.626 -5.776 -2.703 1.00 0.00 C ATOM 679 C GLU A 44 -7.009 -4.725 -1.765 1.00 0.00 C ATOM 680 O GLU A 44 -7.558 -3.631 -1.651 1.00 0.00 O ATOM 681 CB GLU A 44 -8.398 -6.874 -1.955 1.00 0.00 C ATOM 682 CG GLU A 44 -9.673 -6.316 -1.300 1.00 0.00 C ATOM 683 CD GLU A 44 -10.471 -7.388 -0.527 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.787 -8.456 -1.105 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.809 -7.146 0.658 1.00 0.00 O ATOM 0 H GLU A 44 -6.383 -7.347 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.348 -5.242 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.663 -7.672 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.758 -7.315 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.402 -5.510 -0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.310 -5.881 -2.070 1.00 0.00 H new ATOM 692 N LEU A 45 -5.827 -4.994 -1.189 1.00 0.00 N ATOM 693 CA LEU A 45 -5.049 -4.054 -0.372 1.00 0.00 C ATOM 694 C LEU A 45 -4.791 -2.738 -1.122 1.00 0.00 C ATOM 695 O LEU A 45 -5.170 -1.677 -0.631 1.00 0.00 O ATOM 696 CB LEU A 45 -3.759 -4.752 0.118 1.00 0.00 C ATOM 697 CG LEU A 45 -2.742 -3.823 0.822 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.061 -4.497 2.021 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.635 -3.373 -0.138 1.00 0.00 C ATOM 0 H LEU A 45 -5.373 -5.902 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.622 -3.769 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.035 -5.552 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.270 -5.221 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.324 -2.968 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.357 -3.801 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.815 -4.784 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.526 -5.385 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.938 -2.722 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.102 -4.246 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.077 -2.830 -0.974 1.00 0.00 H new ATOM 711 N LYS A 46 -4.239 -2.773 -2.344 1.00 0.00 N ATOM 712 CA LYS A 46 -4.016 -1.539 -3.120 1.00 0.00 C ATOM 713 C LYS A 46 -5.315 -0.866 -3.563 1.00 0.00 C ATOM 714 O LYS A 46 -5.327 0.342 -3.772 1.00 0.00 O ATOM 715 CB LYS A 46 -3.029 -1.763 -4.280 1.00 0.00 C ATOM 716 CG LYS A 46 -3.648 -2.366 -5.548 1.00 0.00 C ATOM 717 CD LYS A 46 -4.178 -1.334 -6.568 1.00 0.00 C ATOM 718 CE LYS A 46 -4.618 -2.002 -7.878 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.885 -2.770 -7.727 1.00 0.00 N ATOM 0 H LYS A 46 -3.942 -3.628 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.544 -0.828 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.570 -0.808 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.230 -2.419 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.900 -2.989 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.468 -3.022 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.020 -0.794 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.401 -0.598 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.748 -1.239 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.830 -2.671 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.140 -3.202 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.756 -3.516 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.645 -2.129 -7.423 1.00 0.00 H new ATOM 733 N SER A 47 -6.391 -1.642 -3.719 1.00 0.00 N ATOM 734 CA SER A 47 -7.712 -1.147 -4.144 1.00 0.00 C ATOM 735 C SER A 47 -8.424 -0.375 -3.027 1.00 0.00 C ATOM 736 O SER A 47 -9.130 0.597 -3.297 1.00 0.00 O ATOM 737 CB SER A 47 -8.592 -2.311 -4.616 1.00 0.00 C ATOM 738 OG SER A 47 -9.760 -1.830 -5.257 1.00 0.00 O ATOM 0 H SER A 47 -6.373 -2.648 -3.552 1.00 0.00 H new ATOM 0 HA SER A 47 -7.547 -0.457 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.029 -2.943 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.869 -2.932 -3.764 1.00 0.00 H new ATOM 0 HG SER A 47 -10.307 -2.588 -5.552 1.00 0.00 H new ATOM 744 N VAL A 48 -8.184 -0.746 -1.763 1.00 0.00 N ATOM 745 CA VAL A 48 -8.720 -0.045 -0.586 1.00 0.00 C ATOM 746 C VAL A 48 -7.824 1.105 -0.090 1.00 0.00 C ATOM 747 O VAL A 48 -8.324 2.015 0.571 1.00 0.00 O ATOM 748 CB VAL A 48 -9.038 -1.053 0.535 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.794 -1.683 1.138 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.766 -0.393 1.696 1.00 0.00 C ATOM 0 H VAL A 48 -7.605 -1.551 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.647 0.436 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.653 -1.810 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.084 -2.383 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.243 -2.214 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.161 -0.904 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.972 -1.136 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.143 0.398 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.705 0.033 1.342 1.00 0.00 H new ATOM 760 N ILE A 49 -6.526 1.134 -0.435 1.00 0.00 N ATOM 761 CA ILE A 49 -5.633 2.248 -0.060 1.00 0.00 C ATOM 762 C ILE A 49 -6.224 3.616 -0.462 1.00 0.00 C ATOM 763 O ILE A 49 -6.278 4.495 0.398 1.00 0.00 O ATOM 764 CB ILE A 49 -4.184 2.077 -0.598 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.413 1.074 0.291 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.388 3.406 -0.646 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.018 0.679 -0.212 1.00 0.00 C ATOM 0 H ILE A 49 -6.069 0.398 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.562 2.221 1.027 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.276 1.711 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.312 1.503 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.013 0.170 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.386 3.216 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.899 4.113 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.318 3.825 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.566 -0.027 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.103 0.215 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.392 1.568 -0.284 1.00 0.00 H new ATOM 779 N PRO A 50 -6.708 3.830 -1.707 1.00 0.00 N ATOM 780 CA PRO A 50 -7.280 5.117 -2.104 1.00 0.00 C ATOM 781 C PRO A 50 -8.663 5.372 -1.471 1.00 0.00 C ATOM 782 O PRO A 50 -9.047 6.525 -1.278 1.00 0.00 O ATOM 783 CB PRO A 50 -7.362 5.072 -3.633 1.00 0.00 C ATOM 784 CG PRO A 50 -7.510 3.584 -3.940 1.00 0.00 C ATOM 785 CD PRO A 50 -6.690 2.918 -2.846 1.00 0.00 C ATOM 0 HA PRO A 50 -6.660 5.942 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.211 5.645 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.468 5.490 -4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.553 3.269 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.132 3.338 -4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.114 1.951 -2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.669 2.736 -3.182 1.00 0.00 H new ATOM 793 N ASP A 51 -9.407 4.329 -1.086 1.00 0.00 N ATOM 794 CA ASP A 51 -10.664 4.461 -0.326 1.00 0.00 C ATOM 795 C ASP A 51 -10.440 5.029 1.087 1.00 0.00 C ATOM 796 O ASP A 51 -11.292 5.762 1.601 1.00 0.00 O ATOM 797 CB ASP A 51 -11.409 3.116 -0.262 1.00 0.00 C ATOM 798 CG ASP A 51 -12.438 2.993 -1.393 1.00 0.00 C ATOM 799 OD1 ASP A 51 -13.585 3.452 -1.186 1.00 0.00 O ATOM 800 OD2 ASP A 51 -12.107 2.461 -2.478 1.00 0.00 O ATOM 0 H ASP A 51 -9.156 3.362 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.284 5.179 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.692 2.298 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.911 3.022 0.701 1.00 0.00 H new ATOM 805 N ALA A 52 -9.273 4.787 1.692 1.00 0.00 N ATOM 806 CA ALA A 52 -8.848 5.473 2.913 1.00 0.00 C ATOM 807 C ALA A 52 -8.578 6.987 2.724 1.00 0.00 C ATOM 808 O ALA A 52 -8.428 7.708 3.711 1.00 0.00 O ATOM 809 CB ALA A 52 -7.640 4.740 3.509 1.00 0.00 C ATOM 0 H ALA A 52 -8.595 4.107 1.346 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.680 5.435 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.319 5.247 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.918 3.713 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.823 4.738 2.787 1.00 0.00 H new ATOM 815 N LEU A 53 -8.567 7.479 1.478 1.00 0.00 N ATOM 816 CA LEU A 53 -8.334 8.884 1.100 1.00 0.00 C ATOM 817 C LEU A 53 -9.599 9.554 0.512 1.00 0.00 C ATOM 818 O LEU A 53 -9.622 10.771 0.326 1.00 0.00 O ATOM 819 CB LEU A 53 -7.172 8.970 0.084 1.00 0.00 C ATOM 820 CG LEU A 53 -5.966 8.039 0.328 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.956 8.133 -0.814 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.240 8.337 1.637 1.00 0.00 C ATOM 0 H LEU A 53 -8.728 6.882 0.666 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.073 9.426 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.571 8.757 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.810 9.998 0.068 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.382 7.033 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.117 7.466 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.436 7.843 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.593 9.158 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.402 7.650 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.870 9.362 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.929 8.212 2.472 1.00 0.00 H new ATOM 834 N SER A 54 -10.652 8.770 0.239 1.00 0.00 N ATOM 835 CA SER A 54 -11.883 9.197 -0.456 1.00 0.00 C ATOM 836 C SER A 54 -13.149 9.072 0.414 1.00 0.00 C ATOM 837 O SER A 54 -14.050 9.911 0.329 1.00 0.00 O ATOM 838 CB SER A 54 -12.024 8.376 -1.744 1.00 0.00 C ATOM 839 OG SER A 54 -13.055 8.891 -2.569 1.00 0.00 O ATOM 0 H SER A 54 -10.674 7.785 0.504 1.00 0.00 H new ATOM 0 HA SER A 54 -11.789 10.259 -0.685 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.080 8.384 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.239 7.337 -1.495 1.00 0.00 H new ATOM 0 HG SER A 54 -13.123 8.351 -3.384 1.00 0.00 H new ATOM 845 N ASN A 55 -13.191 8.083 1.316 1.00 0.00 N ATOM 846 CA ASN A 55 -14.233 7.901 2.343 1.00 0.00 C ATOM 847 C ASN A 55 -13.653 7.389 3.679 1.00 0.00 C ATOM 848 O ASN A 55 -14.350 6.736 4.453 1.00 0.00 O ATOM 849 CB ASN A 55 -15.408 7.032 1.814 1.00 0.00 C ATOM 850 CG ASN A 55 -15.070 5.988 0.766 1.00 0.00 C ATOM 851 OD1 ASN A 55 -15.681 5.935 -0.291 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.142 5.099 1.023 1.00 0.00 N ATOM 0 H ASN A 55 -12.474 7.358 1.355 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.651 8.883 2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.865 6.525 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.163 7.699 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.933 4.368 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.628 5.138 1.903 1.00 0.00 H new ATOM 859 N GLU A 56 -12.366 7.645 3.954 1.00 0.00 N ATOM 860 CA GLU A 56 -11.668 7.229 5.189 1.00 0.00 C ATOM 861 C GLU A 56 -11.838 5.726 5.517 1.00 0.00 C ATOM 862 O GLU A 56 -11.876 5.321 6.681 1.00 0.00 O ATOM 863 CB GLU A 56 -12.058 8.163 6.355 1.00 0.00 C ATOM 864 CG GLU A 56 -11.725 9.635 6.068 1.00 0.00 C ATOM 865 CD GLU A 56 -12.075 10.525 7.276 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.208 10.724 8.162 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.217 11.043 7.346 1.00 0.00 O ATOM 0 H GLU A 56 -11.763 8.159 3.312 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.597 7.338 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.126 8.067 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.538 7.846 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.665 9.733 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.277 9.972 5.191 1.00 0.00 H new ATOM 874 N CYS A 57 -11.959 4.892 4.472 1.00 0.00 N ATOM 875 CA CYS A 57 -12.225 3.449 4.544 1.00 0.00 C ATOM 876 C CYS A 57 -13.530 3.087 5.300 1.00 0.00 C ATOM 877 O CYS A 57 -13.665 1.989 5.828 1.00 0.00 O ATOM 878 CB CYS A 57 -10.980 2.748 5.118 1.00 0.00 C ATOM 879 SG CYS A 57 -10.567 1.098 4.477 1.00 0.00 S ATOM 0 H CYS A 57 -11.870 5.222 3.511 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.410 3.083 3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.121 3.398 4.949 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.109 2.666 6.197 1.00 0.00 H new ATOM 884 N ALA A 58 -14.519 3.978 5.401 1.00 0.00 N ATOM 885 CA ALA A 58 -15.713 3.743 6.222 1.00 0.00 C ATOM 886 C ALA A 58 -16.595 2.563 5.748 1.00 0.00 C ATOM 887 O ALA A 58 -17.318 1.976 6.558 1.00 0.00 O ATOM 888 CB ALA A 58 -16.510 5.056 6.255 1.00 0.00 C ATOM 0 H ALA A 58 -14.517 4.878 4.920 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.388 3.445 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.408 4.921 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.895 5.844 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.793 5.336 5.240 1.00 0.00 H new ATOM 894 N LYS A 59 -16.514 2.180 4.462 1.00 0.00 N ATOM 895 CA LYS A 59 -17.176 0.981 3.897 1.00 0.00 C ATOM 896 C LYS A 59 -16.378 -0.331 4.061 1.00 0.00 C ATOM 897 O LYS A 59 -16.856 -1.400 3.668 1.00 0.00 O ATOM 898 CB LYS A 59 -17.526 1.224 2.420 1.00 0.00 C ATOM 899 CG LYS A 59 -18.599 2.312 2.241 1.00 0.00 C ATOM 900 CD LYS A 59 -19.216 2.281 0.833 1.00 0.00 C ATOM 901 CE LYS A 59 -18.229 2.626 -0.292 1.00 0.00 C ATOM 902 NZ LYS A 59 -17.953 4.084 -0.361 1.00 0.00 N ATOM 0 H LYS A 59 -15.977 2.702 3.769 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.085 0.836 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.625 1.514 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.879 0.293 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.384 2.174 2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.157 3.292 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.627 1.288 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.050 2.982 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.295 2.087 -0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -18.634 2.288 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -18.296 4.460 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -18.441 4.567 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.929 4.247 -0.284 1.00 0.00 H new ATOM 916 N CYS A 60 -15.173 -0.266 4.624 1.00 0.00 N ATOM 917 CA CYS A 60 -14.278 -1.392 4.868 1.00 0.00 C ATOM 918 C CYS A 60 -14.650 -2.176 6.138 1.00 0.00 C ATOM 919 O CYS A 60 -15.359 -1.688 7.023 1.00 0.00 O ATOM 920 CB CYS A 60 -12.873 -0.815 5.059 1.00 0.00 C ATOM 921 SG CYS A 60 -12.268 0.244 3.722 1.00 0.00 S ATOM 0 H CYS A 60 -14.776 0.619 4.938 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.345 -2.080 4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.859 -0.242 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.175 -1.643 5.186 1.00 0.00 H new ATOM 926 N ASN A 61 -14.074 -3.370 6.264 1.00 0.00 N ATOM 927 CA ASN A 61 -13.948 -4.098 7.533 1.00 0.00 C ATOM 928 C ASN A 61 -12.762 -3.586 8.368 1.00 0.00 C ATOM 929 O ASN A 61 -11.794 -3.047 7.831 1.00 0.00 O ATOM 930 CB ASN A 61 -13.834 -5.613 7.262 1.00 0.00 C ATOM 931 CG ASN A 61 -12.784 -6.024 6.233 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.685 -5.475 5.149 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.964 -7.010 6.515 1.00 0.00 N ATOM 0 H ASN A 61 -13.672 -3.872 5.472 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.847 -3.917 8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.610 -6.116 8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.805 -5.978 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.263 -7.301 5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.028 -7.485 7.416 1.00 0.00 H new ATOM 940 N GLU A 62 -12.806 -3.807 9.686 1.00 0.00 N ATOM 941 CA GLU A 62 -11.763 -3.378 10.637 1.00 0.00 C ATOM 942 C GLU A 62 -10.352 -3.882 10.279 1.00 0.00 C ATOM 943 O GLU A 62 -9.377 -3.137 10.406 1.00 0.00 O ATOM 944 CB GLU A 62 -12.169 -3.776 12.070 1.00 0.00 C ATOM 945 CG GLU A 62 -12.308 -5.288 12.315 1.00 0.00 C ATOM 946 CD GLU A 62 -12.793 -5.573 13.750 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.024 -5.547 13.996 1.00 0.00 O ATOM 948 OE2 GLU A 62 -11.950 -5.841 14.642 1.00 0.00 O ATOM 0 H GLU A 62 -13.580 -4.298 10.135 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.696 -2.292 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.429 -3.378 12.764 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.119 -3.297 12.308 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.011 -5.713 11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.348 -5.777 12.148 1.00 0.00 H new ATOM 955 N LYS A 63 -10.248 -5.114 9.751 1.00 0.00 N ATOM 956 CA LYS A 63 -8.973 -5.712 9.315 1.00 0.00 C ATOM 957 C LYS A 63 -8.327 -4.900 8.188 1.00 0.00 C ATOM 958 O LYS A 63 -7.124 -4.652 8.216 1.00 0.00 O ATOM 959 CB LYS A 63 -9.195 -7.175 8.880 1.00 0.00 C ATOM 960 CG LYS A 63 -7.923 -8.038 8.998 1.00 0.00 C ATOM 961 CD LYS A 63 -7.620 -8.501 10.435 1.00 0.00 C ATOM 962 CE LYS A 63 -8.455 -9.733 10.826 1.00 0.00 C ATOM 963 NZ LYS A 63 -8.279 -10.080 12.262 1.00 0.00 N ATOM 0 H LYS A 63 -11.051 -5.727 9.614 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.285 -5.697 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.983 -7.614 9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.545 -7.192 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.028 -8.914 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.073 -7.469 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.560 -8.737 10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.825 -7.687 11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.508 -9.538 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.164 -10.582 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.856 -10.915 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.278 -10.290 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.580 -9.279 12.852 1.00 0.00 H new ATOM 977 N GLN A 64 -9.140 -4.445 7.230 1.00 0.00 N ATOM 978 CA GLN A 64 -8.706 -3.553 6.152 1.00 0.00 C ATOM 979 C GLN A 64 -8.435 -2.126 6.637 1.00 0.00 C ATOM 980 O GLN A 64 -7.375 -1.599 6.317 1.00 0.00 O ATOM 981 CB GLN A 64 -9.748 -3.516 5.024 1.00 0.00 C ATOM 982 CG GLN A 64 -9.816 -4.815 4.216 1.00 0.00 C ATOM 983 CD GLN A 64 -8.660 -5.013 3.243 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.523 -4.608 3.440 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.920 -5.649 2.130 1.00 0.00 N ATOM 0 H GLN A 64 -10.129 -4.689 7.181 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.767 -3.961 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.729 -3.312 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.515 -2.690 4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.841 -5.657 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.752 -4.833 3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.862 -5.994 1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.180 -5.800 1.444 1.00 0.00 H new ATOM 994 N LYS A 65 -9.339 -1.516 7.421 1.00 0.00 N ATOM 995 CA LYS A 65 -9.176 -0.134 7.920 1.00 0.00 C ATOM 996 C LYS A 65 -7.851 0.061 8.650 1.00 0.00 C ATOM 997 O LYS A 65 -7.018 0.857 8.224 1.00 0.00 O ATOM 998 CB LYS A 65 -10.311 0.274 8.879 1.00 0.00 C ATOM 999 CG LYS A 65 -11.667 0.486 8.213 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.542 1.543 8.908 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.051 1.175 10.306 1.00 0.00 C ATOM 1002 NZ LYS A 65 -12.062 1.432 11.394 1.00 0.00 N ATOM 0 H LYS A 65 -10.203 -1.963 7.728 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.201 0.497 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.414 -0.495 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.024 1.194 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.509 0.783 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.205 -0.462 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.971 2.468 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.402 1.750 8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.959 1.741 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.323 0.120 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.522 1.306 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.270 0.764 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.704 2.405 11.315 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.638 -0.694 9.723 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.417 -0.599 10.525 1.00 0.00 C ATOM 1018 C GLU A 66 -5.203 -1.149 9.766 1.00 0.00 C ATOM 1019 O GLU A 66 -4.099 -0.625 9.908 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.612 -1.315 11.869 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.420 -0.476 12.870 1.00 0.00 C ATOM 1022 CD GLU A 66 -8.953 -0.537 12.691 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -9.600 -1.401 13.328 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -9.534 0.322 11.981 1.00 0.00 O ATOM 0 H GLU A 66 -8.303 -1.388 10.063 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.216 0.454 10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.121 -2.264 11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.637 -1.548 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.174 -0.807 13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.102 0.563 12.789 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.427 -2.154 8.916 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.447 -2.730 7.992 1.00 0.00 C ATOM 1033 C GLY A 67 -3.830 -1.710 7.032 1.00 0.00 C ATOM 1034 O GLY A 67 -2.633 -1.448 7.109 1.00 0.00 O ATOM 0 H GLY A 67 -6.338 -2.609 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.651 -3.200 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.928 -3.517 7.411 1.00 0.00 H new ATOM 1038 N THR A 68 -4.601 -1.071 6.150 1.00 0.00 N ATOM 1039 CA THR A 68 -4.025 -0.064 5.242 1.00 0.00 C ATOM 1040 C THR A 68 -3.487 1.149 5.998 1.00 0.00 C ATOM 1041 O THR A 68 -2.430 1.650 5.625 1.00 0.00 O ATOM 1042 CB THR A 68 -4.982 0.389 4.132 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.231 0.815 4.629 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.205 -0.752 3.146 1.00 0.00 C ATOM 0 H THR A 68 -5.604 -1.224 6.042 1.00 0.00 H new ATOM 0 HA THR A 68 -3.193 -0.574 4.755 1.00 0.00 H new ATOM 0 HB THR A 68 -4.513 1.241 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.689 0.060 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.885 -0.425 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.252 -1.042 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.637 -1.605 3.669 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.132 1.578 7.097 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.646 2.681 7.956 1.00 0.00 C ATOM 1054 C LYS A 69 -2.245 2.437 8.532 1.00 0.00 C ATOM 1055 O LYS A 69 -1.420 3.350 8.509 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.650 2.984 9.077 1.00 0.00 C ATOM 1057 CG LYS A 69 -5.822 3.818 8.535 1.00 0.00 C ATOM 1058 CD LYS A 69 -6.974 3.946 9.540 1.00 0.00 C ATOM 1059 CE LYS A 69 -6.616 4.630 10.869 1.00 0.00 C ATOM 1060 NZ LYS A 69 -6.336 6.082 10.703 1.00 0.00 N ATOM 0 H LYS A 69 -5.010 1.170 7.419 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.561 3.553 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.024 2.052 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.153 3.524 9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.463 4.813 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.194 3.361 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.783 4.504 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.358 2.949 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.437 4.499 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.743 4.142 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.100 6.498 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.536 6.209 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.177 6.556 10.315 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.938 1.222 9.010 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.573 0.854 9.443 1.00 0.00 C ATOM 1076 C LYS A 70 0.366 0.672 8.249 1.00 0.00 C ATOM 1077 O LYS A 70 1.497 1.154 8.276 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.579 -0.357 10.411 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.915 -1.719 9.779 1.00 0.00 C ATOM 1080 CD LYS A 70 -0.964 -2.952 10.692 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.061 -2.894 11.769 1.00 0.00 C ATOM 1082 NZ LYS A 70 -1.597 -2.266 13.037 1.00 0.00 N ATOM 0 H LYS A 70 -2.619 0.469 9.109 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.172 1.688 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.402 -0.428 10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.299 -0.159 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.885 -1.629 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.181 -1.913 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.119 -3.839 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.004 -3.068 11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.913 -2.334 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.412 -3.905 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.405 -1.826 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.178 -2.993 13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.884 -1.540 12.824 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.073 0.001 7.189 1.00 0.00 N ATOM 1097 CA VAL A 71 0.767 -0.333 6.022 1.00 0.00 C ATOM 1098 C VAL A 71 1.251 0.901 5.271 1.00 0.00 C ATOM 1099 O VAL A 71 2.445 0.986 4.994 1.00 0.00 O ATOM 1100 CB VAL A 71 0.019 -1.312 5.103 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.731 -1.559 3.768 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.127 -2.648 5.844 1.00 0.00 C ATOM 0 H VAL A 71 -1.033 -0.335 7.106 1.00 0.00 H new ATOM 0 HA VAL A 71 1.670 -0.821 6.389 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.947 -0.866 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.149 -2.259 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.831 -0.617 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.720 -1.977 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.656 -3.360 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.861 -3.041 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.690 -2.494 6.764 1.00 0.00 H new ATOM 1112 N LEU A 72 0.386 1.890 5.034 1.00 0.00 N ATOM 1113 CA LEU A 72 0.750 3.179 4.426 1.00 0.00 C ATOM 1114 C LEU A 72 1.955 3.828 5.117 1.00 0.00 C ATOM 1115 O LEU A 72 2.846 4.327 4.433 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.516 4.064 4.336 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.437 5.571 4.640 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.752 6.191 4.174 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.304 5.862 6.141 1.00 0.00 C ATOM 0 H LEU A 72 -0.606 1.820 5.262 1.00 0.00 H new ATOM 0 HA LEU A 72 1.104 3.028 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.911 3.960 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.256 3.637 5.013 1.00 0.00 H new ATOM 0 HG LEU A 72 0.440 5.978 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.739 7.263 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.876 6.020 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.581 5.733 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.252 6.939 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.169 5.459 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.604 5.395 6.523 1.00 0.00 H new ATOM 1131 N LYS A 73 2.026 3.749 6.454 1.00 0.00 N ATOM 1132 CA LYS A 73 3.075 4.378 7.265 1.00 0.00 C ATOM 1133 C LYS A 73 4.426 3.686 7.084 1.00 0.00 C ATOM 1134 O LYS A 73 5.447 4.334 6.862 1.00 0.00 O ATOM 1135 CB LYS A 73 2.613 4.328 8.738 1.00 0.00 C ATOM 1136 CG LYS A 73 3.550 5.035 9.728 1.00 0.00 C ATOM 1137 CD LYS A 73 3.667 6.547 9.487 1.00 0.00 C ATOM 1138 CE LYS A 73 2.673 7.408 10.290 1.00 0.00 C ATOM 1139 NZ LYS A 73 1.240 7.081 10.043 1.00 0.00 N ATOM 0 H LYS A 73 1.342 3.236 7.011 1.00 0.00 H new ATOM 0 HA LYS A 73 3.222 5.410 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.623 4.779 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.510 3.285 9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.190 4.864 10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.541 4.587 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.681 6.863 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.521 6.744 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.883 7.288 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.841 8.457 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.637 7.777 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.049 7.107 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.033 6.130 10.410 1.00 0.00 H new ATOM 1153 N HIS A 74 4.427 2.358 7.129 1.00 0.00 N ATOM 1154 CA HIS A 74 5.601 1.525 6.839 1.00 0.00 C ATOM 1155 C HIS A 74 6.068 1.718 5.395 1.00 0.00 C ATOM 1156 O HIS A 74 7.258 1.905 5.172 1.00 0.00 O ATOM 1157 CB HIS A 74 5.298 0.041 7.100 1.00 0.00 C ATOM 1158 CG HIS A 74 4.970 -0.297 8.531 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.715 -0.227 9.095 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.800 -0.877 9.452 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.755 -0.797 10.309 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.027 -1.168 10.567 1.00 0.00 N ATOM 0 H HIS A 74 3.599 1.815 7.372 1.00 0.00 H new ATOM 0 HA HIS A 74 6.402 1.840 7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.461 -0.260 6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.159 -0.551 6.790 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.891 0.190 8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.856 -1.071 9.333 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.911 -0.936 10.969 1.00 0.00 H new ATOM 1171 N LEU A 75 5.154 1.730 4.425 1.00 0.00 N ATOM 1172 CA LEU A 75 5.482 1.906 3.008 1.00 0.00 C ATOM 1173 C LEU A 75 6.192 3.243 2.752 1.00 0.00 C ATOM 1174 O LEU A 75 7.233 3.251 2.102 1.00 0.00 O ATOM 1175 CB LEU A 75 4.197 1.804 2.160 1.00 0.00 C ATOM 1176 CG LEU A 75 4.001 0.448 1.464 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.178 -0.752 2.402 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.610 0.421 0.828 1.00 0.00 C ATOM 0 H LEU A 75 4.156 1.617 4.601 1.00 0.00 H new ATOM 0 HA LEU A 75 6.171 1.113 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.337 1.997 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.213 2.588 1.403 1.00 0.00 H new ATOM 0 HG LEU A 75 4.779 0.352 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.025 -1.676 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.185 -0.742 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.450 -0.692 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.456 -0.536 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.854 0.553 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.528 1.227 0.099 1.00 0.00 H new ATOM 1190 N ILE A 76 5.700 4.358 3.307 1.00 0.00 N ATOM 1191 CA ILE A 76 6.396 5.652 3.192 1.00 0.00 C ATOM 1192 C ILE A 76 7.762 5.636 3.908 1.00 0.00 C ATOM 1193 O ILE A 76 8.733 6.163 3.367 1.00 0.00 O ATOM 1194 CB ILE A 76 5.461 6.818 3.607 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.006 8.214 3.260 1.00 0.00 C ATOM 1196 CG2 ILE A 76 4.997 6.814 5.068 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.881 8.870 4.336 1.00 0.00 C ATOM 0 H ILE A 76 4.829 4.394 3.837 1.00 0.00 H new ATOM 0 HA ILE A 76 6.641 5.829 2.145 1.00 0.00 H new ATOM 0 HB ILE A 76 4.585 6.613 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.587 8.139 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.163 8.872 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.349 7.672 5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.447 5.896 5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.865 6.871 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.212 9.849 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.304 8.986 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.750 8.242 4.531 1.00 0.00 H new ATOM 1209 N ASN A 77 7.883 4.965 5.064 1.00 0.00 N ATOM 1210 CA ASN A 77 9.149 4.860 5.815 1.00 0.00 C ATOM 1211 C ASN A 77 10.204 3.937 5.167 1.00 0.00 C ATOM 1212 O ASN A 77 11.404 4.167 5.334 1.00 0.00 O ATOM 1213 CB ASN A 77 8.864 4.410 7.261 1.00 0.00 C ATOM 1214 CG ASN A 77 8.511 5.573 8.173 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.339 6.097 8.905 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.275 6.009 8.168 1.00 0.00 N ATOM 0 H ASN A 77 7.105 4.478 5.508 1.00 0.00 H new ATOM 0 HA ASN A 77 9.587 5.858 5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.044 3.692 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.739 3.894 7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.005 6.784 8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.583 5.573 7.558 1.00 0.00 H new ATOM 1223 N HIS A 78 9.778 2.894 4.443 1.00 0.00 N ATOM 1224 CA HIS A 78 10.651 1.810 3.940 1.00 0.00 C ATOM 1225 C HIS A 78 10.784 1.733 2.413 1.00 0.00 C ATOM 1226 O HIS A 78 11.769 1.191 1.909 1.00 0.00 O ATOM 1227 CB HIS A 78 10.151 0.463 4.476 1.00 0.00 C ATOM 1228 CG HIS A 78 10.372 0.278 5.960 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.592 0.034 6.568 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.419 0.315 6.945 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.387 -0.069 7.896 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.073 0.102 8.147 1.00 0.00 N ATOM 0 H HIS A 78 8.800 2.772 4.182 1.00 0.00 H new ATOM 0 HA HIS A 78 11.649 2.046 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.086 0.370 4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.655 -0.341 3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.360 0.479 6.809 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.150 -0.257 8.637 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.634 0.078 9.068 1.00 0.00 H new ATOM 1241 N LYS A 79 9.831 2.305 1.675 1.00 0.00 N ATOM 1242 CA LYS A 79 9.819 2.437 0.209 1.00 0.00 C ATOM 1243 C LYS A 79 9.499 3.881 -0.206 1.00 0.00 C ATOM 1244 O LYS A 79 8.568 4.097 -0.974 1.00 0.00 O ATOM 1245 CB LYS A 79 8.854 1.384 -0.393 1.00 0.00 C ATOM 1246 CG LYS A 79 9.446 -0.022 -0.565 1.00 0.00 C ATOM 1247 CD LYS A 79 10.343 -0.163 -1.808 1.00 0.00 C ATOM 1248 CE LYS A 79 11.721 0.499 -1.648 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.727 -0.051 -2.596 1.00 0.00 N ATOM 0 H LYS A 79 9.000 2.712 2.103 1.00 0.00 H new ATOM 0 HA LYS A 79 10.809 2.231 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.973 1.314 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.515 1.740 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.026 -0.274 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.633 -0.745 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.481 -1.222 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.834 0.278 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.626 1.573 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.073 0.357 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.639 0.426 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.840 -1.071 -2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.406 0.107 -3.573 1.00 0.00 H new ATOM 1263 N PRO A 80 10.269 4.885 0.258 1.00 0.00 N ATOM 1264 CA PRO A 80 9.989 6.304 0.001 1.00 0.00 C ATOM 1265 C PRO A 80 10.010 6.655 -1.500 1.00 0.00 C ATOM 1266 O PRO A 80 9.153 7.392 -1.985 1.00 0.00 O ATOM 1267 CB PRO A 80 11.061 7.072 0.784 1.00 0.00 C ATOM 1268 CG PRO A 80 12.222 6.080 0.873 1.00 0.00 C ATOM 1269 CD PRO A 80 11.527 4.726 0.977 1.00 0.00 C ATOM 0 HA PRO A 80 8.982 6.569 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.354 7.987 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.705 7.362 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.865 6.135 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.851 6.276 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.135 3.936 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.354 4.451 2.018 1.00 0.00 H new ATOM 1277 N ASP A 81 10.958 6.081 -2.249 1.00 0.00 N ATOM 1278 CA ASP A 81 11.091 6.274 -3.703 1.00 0.00 C ATOM 1279 C ASP A 81 9.902 5.717 -4.515 1.00 0.00 C ATOM 1280 O ASP A 81 9.471 6.337 -5.489 1.00 0.00 O ATOM 1281 CB ASP A 81 12.405 5.624 -4.159 1.00 0.00 C ATOM 1282 CG ASP A 81 12.679 5.867 -5.654 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.110 6.989 -6.015 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.487 4.930 -6.465 1.00 0.00 O ATOM 0 H ASP A 81 11.667 5.459 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 81 11.096 7.347 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.231 6.023 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.365 4.552 -3.967 1.00 0.00 H new ATOM 1289 N VAL A 82 9.343 4.565 -4.114 1.00 0.00 N ATOM 1290 CA VAL A 82 8.140 3.984 -4.744 1.00 0.00 C ATOM 1291 C VAL A 82 6.858 4.637 -4.221 1.00 0.00 C ATOM 1292 O VAL A 82 5.947 4.916 -5.000 1.00 0.00 O ATOM 1293 CB VAL A 82 8.084 2.457 -4.574 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.826 1.880 -5.231 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.305 1.786 -5.220 1.00 0.00 C ATOM 0 H VAL A 82 9.710 4.007 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 82 8.212 4.194 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 82 8.072 2.257 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.809 0.798 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.941 2.317 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.832 2.114 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.240 0.706 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.327 2.018 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.215 2.157 -4.749 1.00 0.00 H new ATOM 1305 N TRP A 83 6.796 4.959 -2.928 1.00 0.00 N ATOM 1306 CA TRP A 83 5.710 5.733 -2.324 1.00 0.00 C ATOM 1307 C TRP A 83 5.433 7.040 -3.079 1.00 0.00 C ATOM 1308 O TRP A 83 4.277 7.324 -3.383 1.00 0.00 O ATOM 1309 CB TRP A 83 6.042 6.016 -0.854 1.00 0.00 C ATOM 1310 CG TRP A 83 5.219 7.115 -0.268 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.652 8.370 -0.021 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.788 7.126 0.000 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.595 9.156 0.393 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.420 8.437 0.426 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.766 6.161 -0.113 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.098 8.769 0.742 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.430 6.494 0.175 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.102 7.792 0.599 1.00 0.00 C ATOM 0 H TRP A 83 7.514 4.684 -2.258 1.00 0.00 H new ATOM 0 HA TRP A 83 4.799 5.138 -2.387 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.890 5.107 -0.272 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.097 6.276 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.672 8.708 -0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.674 10.142 0.642 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.011 5.156 -0.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.849 9.761 1.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.655 5.750 0.070 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.074 8.040 0.817 1.00 0.00 H new ATOM 1329 N ALA A 84 6.471 7.787 -3.474 1.00 0.00 N ATOM 1330 CA ALA A 84 6.347 8.997 -4.292 1.00 0.00 C ATOM 1331 C ALA A 84 5.549 8.782 -5.596 1.00 0.00 C ATOM 1332 O ALA A 84 4.898 9.720 -6.054 1.00 0.00 O ATOM 1333 CB ALA A 84 7.761 9.516 -4.578 1.00 0.00 C ATOM 0 H ALA A 84 7.436 7.563 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 84 5.770 9.735 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.701 10.418 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.262 9.745 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.327 8.754 -5.114 1.00 0.00 H new ATOM 1339 N GLN A 85 5.554 7.569 -6.161 1.00 0.00 N ATOM 1340 CA GLN A 85 4.773 7.180 -7.344 1.00 0.00 C ATOM 1341 C GLN A 85 3.300 6.898 -6.997 1.00 0.00 C ATOM 1342 O GLN A 85 2.403 7.302 -7.741 1.00 0.00 O ATOM 1343 CB GLN A 85 5.408 5.947 -8.022 1.00 0.00 C ATOM 1344 CG GLN A 85 6.939 6.070 -8.116 1.00 0.00 C ATOM 1345 CD GLN A 85 7.591 5.101 -9.101 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.082 4.808 -10.176 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.753 4.571 -8.780 1.00 0.00 N ATOM 0 H GLN A 85 6.121 6.804 -5.796 1.00 0.00 H new ATOM 0 HA GLN A 85 4.790 8.021 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.150 5.050 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.991 5.827 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.192 7.090 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.366 5.905 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.191 4.804 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.215 3.927 -9.423 1.00 0.00 H new ATOM 1356 N LEU A 86 3.050 6.264 -5.841 1.00 0.00 N ATOM 1357 CA LEU A 86 1.703 6.047 -5.278 1.00 0.00 C ATOM 1358 C LEU A 86 1.005 7.394 -5.068 1.00 0.00 C ATOM 1359 O LEU A 86 0.022 7.696 -5.745 1.00 0.00 O ATOM 1360 CB LEU A 86 1.813 5.265 -3.942 1.00 0.00 C ATOM 1361 CG LEU A 86 0.542 4.649 -3.322 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.466 5.691 -2.837 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.156 3.678 -4.270 1.00 0.00 C ATOM 0 H LEU A 86 3.792 5.879 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 86 1.107 5.457 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.529 4.457 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.245 5.939 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 86 0.903 4.101 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.335 5.187 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.003 6.318 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.780 6.311 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.044 3.272 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.446 4.203 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.524 2.864 -4.522 1.00 0.00 H new ATOM 1375 N LYS A 87 1.564 8.241 -4.194 1.00 0.00 N ATOM 1376 CA LYS A 87 0.994 9.550 -3.836 1.00 0.00 C ATOM 1377 C LYS A 87 0.843 10.502 -5.022 1.00 0.00 C ATOM 1378 O LYS A 87 -0.038 11.346 -5.013 1.00 0.00 O ATOM 1379 CB LYS A 87 1.768 10.239 -2.700 1.00 0.00 C ATOM 1380 CG LYS A 87 3.292 10.189 -2.863 1.00 0.00 C ATOM 1381 CD LYS A 87 4.014 11.473 -2.455 1.00 0.00 C ATOM 1382 CE LYS A 87 4.005 12.521 -3.574 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.993 12.268 -4.660 1.00 0.00 N ATOM 0 H LYS A 87 2.437 8.035 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.010 9.320 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.453 11.281 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.499 9.770 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.682 9.363 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.527 9.970 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.539 11.888 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.044 11.239 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.007 12.562 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.203 13.501 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.888 12.991 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.956 12.309 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.825 11.327 -5.070 1.00 0.00 H new ATOM 1397 N ALA A 88 1.678 10.385 -6.049 1.00 0.00 N ATOM 1398 CA ALA A 88 1.584 11.237 -7.240 1.00 0.00 C ATOM 1399 C ALA A 88 0.286 10.993 -8.028 1.00 0.00 C ATOM 1400 O ALA A 88 -0.407 11.943 -8.401 1.00 0.00 O ATOM 1401 CB ALA A 88 2.804 11.000 -8.129 1.00 0.00 C ATOM 0 H ALA A 88 2.436 9.703 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 88 1.563 12.276 -6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.737 11.632 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.711 11.246 -7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.836 9.953 -8.431 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.060 9.719 -8.257 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.307 9.316 -8.926 1.00 0.00 C ATOM 1409 C LYS A 89 -2.521 9.392 -7.990 1.00 0.00 C ATOM 1410 O LYS A 89 -3.611 9.764 -8.424 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.099 7.911 -9.519 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.235 7.507 -10.473 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.936 6.235 -11.289 1.00 0.00 C ATOM 1414 CE LYS A 89 -1.236 6.490 -12.637 1.00 0.00 C ATOM 1415 NZ LYS A 89 0.198 6.866 -12.506 1.00 0.00 N ATOM 0 H LYS A 89 0.524 8.930 -7.980 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.534 10.015 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.150 7.882 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.031 7.184 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.145 7.351 -9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.431 8.331 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.312 5.573 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.873 5.709 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.312 5.593 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.764 7.284 -13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.667 6.775 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.270 7.850 -12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.661 6.236 -11.820 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.331 9.063 -6.709 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.400 8.995 -5.700 1.00 0.00 C ATOM 1431 C TYR A 90 -3.713 10.355 -5.043 1.00 0.00 C ATOM 1432 O TYR A 90 -4.786 10.522 -4.461 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.036 7.944 -4.633 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.277 6.482 -5.006 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.206 6.011 -6.337 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.520 5.563 -3.968 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.373 4.642 -6.622 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.650 4.188 -4.248 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.597 3.723 -5.578 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.756 2.399 -5.854 1.00 0.00 O ATOM 0 H TYR A 90 -1.411 8.831 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.312 8.700 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.982 8.063 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.605 8.164 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.022 6.707 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.607 5.914 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.329 4.296 -7.644 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.791 3.486 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.255 1.971 -5.127 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.806 11.331 -5.139 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.915 12.658 -4.522 1.00 0.00 C ATOM 1452 C ASP A 91 -2.154 13.735 -5.336 1.00 0.00 C ATOM 1453 O ASP A 91 -1.112 14.243 -4.901 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.431 12.596 -3.062 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.740 13.899 -2.297 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.439 14.798 -2.825 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.233 14.040 -1.161 1.00 0.00 O ATOM 0 H ASP A 91 -1.942 11.215 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.964 12.955 -4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.909 11.757 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.357 12.410 -3.043 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.640 14.095 -6.542 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.945 14.996 -7.473 1.00 0.00 C ATOM 1464 C PRO A 92 -1.781 16.449 -6.981 1.00 0.00 C ATOM 1465 O PRO A 92 -1.093 17.240 -7.630 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.754 14.924 -8.776 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.162 14.598 -8.286 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.898 13.650 -7.121 1.00 0.00 C ATOM 0 HA PRO A 92 -0.912 14.670 -7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.725 15.867 -9.322 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.372 14.155 -9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.697 15.492 -7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.763 14.127 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.705 13.692 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.831 12.617 -7.462 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.370 16.810 -5.835 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.246 18.124 -5.183 1.00 0.00 C ATOM 1478 C ASP A 93 -1.491 18.065 -3.835 1.00 0.00 C ATOM 1479 O ASP A 93 -1.200 19.107 -3.241 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.649 18.723 -5.001 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.298 19.108 -6.340 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.889 20.133 -6.937 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.237 18.408 -6.789 1.00 0.00 O ATOM 0 H ASP A 93 -2.970 16.171 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.645 18.763 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.285 18.003 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.585 19.605 -4.364 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.140 16.864 -3.353 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.467 16.646 -2.063 1.00 0.00 C ATOM 1490 C GLY A 94 -1.315 16.999 -0.826 1.00 0.00 C ATOM 1491 O GLY A 94 -0.763 17.249 0.248 1.00 0.00 O ATOM 0 H GLY A 94 -1.320 15.997 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.170 15.599 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.447 17.239 -2.041 1.00 0.00 H new ATOM 1495 N THR A 95 -2.640 17.084 -0.971 1.00 0.00 N ATOM 1496 CA THR A 95 -3.569 17.620 0.039 1.00 0.00 C ATOM 1497 C THR A 95 -3.709 16.731 1.283 1.00 0.00 C ATOM 1498 O THR A 95 -3.944 17.257 2.374 1.00 0.00 O ATOM 1499 CB THR A 95 -4.955 17.865 -0.588 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.822 18.657 -1.752 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.916 18.624 0.331 1.00 0.00 C ATOM 0 H THR A 95 -3.115 16.773 -1.819 1.00 0.00 H new ATOM 0 HA THR A 95 -3.137 18.561 0.378 1.00 0.00 H new ATOM 0 HB THR A 95 -5.360 16.874 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.706 18.808 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.872 18.761 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.069 18.054 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.492 19.598 0.576 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.534 15.409 1.162 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.728 14.453 2.270 1.00 0.00 C ATOM 1511 C TYR A 96 -2.567 13.469 2.467 1.00 0.00 C ATOM 1512 O TYR A 96 -2.327 13.048 3.596 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.078 13.729 2.143 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.471 13.375 0.728 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -4.939 12.231 0.109 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.320 14.239 0.013 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.260 11.952 -1.230 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.629 13.966 -1.330 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.105 12.817 -1.959 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.411 12.557 -3.259 1.00 0.00 O ATOM 0 H TYR A 96 -3.252 14.965 0.288 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.741 15.053 3.180 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.042 12.815 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.855 14.359 2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.287 11.570 0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.734 15.112 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.858 11.070 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.269 14.638 -1.882 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.807 11.867 -3.606 1.00 0.00 H new ATOM 1530 N SER A 97 -1.780 13.164 1.434 1.00 0.00 N ATOM 1531 CA SER A 97 -0.537 12.379 1.540 1.00 0.00 C ATOM 1532 C SER A 97 0.467 12.975 2.541 1.00 0.00 C ATOM 1533 O SER A 97 1.102 12.248 3.311 1.00 0.00 O ATOM 1534 CB SER A 97 0.119 12.213 0.164 1.00 0.00 C ATOM 1535 OG SER A 97 0.280 13.461 -0.483 1.00 0.00 O ATOM 0 H SER A 97 -1.988 13.459 0.480 1.00 0.00 H new ATOM 0 HA SER A 97 -0.823 11.400 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.090 11.732 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.492 11.556 -0.455 1.00 0.00 H new ATOM 0 HG SER A 97 -0.588 13.772 -0.815 1.00 0.00 H new ATOM 1541 N LYS A 98 0.557 14.312 2.602 1.00 0.00 N ATOM 1542 CA LYS A 98 1.407 15.049 3.553 1.00 0.00 C ATOM 1543 C LYS A 98 1.073 14.801 5.030 1.00 0.00 C ATOM 1544 O LYS A 98 1.978 14.888 5.859 1.00 0.00 O ATOM 1545 CB LYS A 98 1.391 16.550 3.226 1.00 0.00 C ATOM 1546 CG LYS A 98 2.205 16.849 1.954 1.00 0.00 C ATOM 1547 CD LYS A 98 2.306 18.348 1.638 1.00 0.00 C ATOM 1548 CE LYS A 98 3.123 19.103 2.698 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.302 20.534 2.337 1.00 0.00 N ATOM 0 H LYS A 98 0.031 14.925 1.979 1.00 0.00 H new ATOM 0 HA LYS A 98 2.415 14.655 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.363 16.885 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.801 17.112 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.209 16.440 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.747 16.336 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.768 18.483 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.305 18.775 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.622 19.031 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.099 18.631 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.858 21.011 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.802 20.603 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.371 20.990 2.255 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.175 14.438 5.370 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.655 14.239 6.758 1.00 0.00 C ATOM 1565 C LYS A 99 0.146 13.197 7.555 1.00 0.00 C ATOM 1566 O LYS A 99 0.174 13.260 8.785 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.154 13.869 6.758 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.101 14.943 6.183 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.691 15.908 7.224 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.627 16.724 7.969 1.00 0.00 C ATOM 1571 NZ LYS A 99 -3.246 17.712 8.892 1.00 0.00 N ATOM 0 H LYS A 99 -0.901 14.269 4.673 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.502 15.191 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.284 12.950 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.457 13.652 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.558 15.524 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.920 14.445 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.380 16.591 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.274 15.338 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.981 16.052 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.995 17.243 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.499 18.247 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.843 18.368 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.829 17.213 9.594 1.00 0.00 H new ATOM 1585 N TYR A 100 0.812 12.273 6.863 1.00 0.00 N ATOM 1586 CA TYR A 100 1.641 11.207 7.439 1.00 0.00 C ATOM 1587 C TYR A 100 3.016 11.080 6.761 1.00 0.00 C ATOM 1588 O TYR A 100 3.940 10.561 7.385 1.00 0.00 O ATOM 1589 CB TYR A 100 0.860 9.886 7.434 1.00 0.00 C ATOM 1590 CG TYR A 100 0.156 9.632 6.123 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.125 10.174 5.911 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.822 8.959 5.088 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.734 10.068 4.650 1.00 0.00 C ATOM 1594 CE2 TYR A 100 0.212 8.851 3.829 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.070 9.399 3.601 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.687 9.215 2.402 1.00 0.00 O ATOM 0 H TYR A 100 0.790 12.243 5.844 1.00 0.00 H new ATOM 0 HA TYR A 100 1.863 11.475 8.472 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.544 9.063 7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.126 9.899 8.240 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.640 10.672 6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.797 8.527 5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.710 10.499 4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.727 8.344 3.027 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.472 9.798 2.345 1.00 0.00 H new ATOM 1606 N GLU A 101 3.216 11.604 5.546 1.00 0.00 N ATOM 1607 CA GLU A 101 4.563 11.797 4.980 1.00 0.00 C ATOM 1608 C GLU A 101 5.425 12.749 5.838 1.00 0.00 C ATOM 1609 O GLU A 101 6.604 12.476 6.081 1.00 0.00 O ATOM 1610 CB GLU A 101 4.439 12.292 3.534 1.00 0.00 C ATOM 1611 CG GLU A 101 5.786 12.431 2.819 1.00 0.00 C ATOM 1612 CD GLU A 101 5.571 12.804 1.344 1.00 0.00 C ATOM 1613 OE1 GLU A 101 5.173 11.910 0.563 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.803 13.979 0.967 1.00 0.00 O ATOM 0 H GLU A 101 2.460 11.904 4.931 1.00 0.00 H new ATOM 0 HA GLU A 101 5.081 10.838 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.809 11.601 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.933 13.258 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.389 13.195 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.340 11.495 2.887 1.00 0.00 H new ATOM 1621 N ASP A 102 4.826 13.819 6.377 1.00 0.00 N ATOM 1622 CA ASP A 102 5.483 14.774 7.287 1.00 0.00 C ATOM 1623 C ASP A 102 6.039 14.125 8.573 1.00 0.00 C ATOM 1624 O ASP A 102 6.931 14.690 9.211 1.00 0.00 O ATOM 1625 CB ASP A 102 4.526 15.927 7.650 1.00 0.00 C ATOM 1626 CG ASP A 102 4.281 16.956 6.525 1.00 0.00 C ATOM 1627 OD1 ASP A 102 4.991 16.949 5.490 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.404 17.835 6.711 1.00 0.00 O ATOM 0 H ASP A 102 3.851 14.052 6.190 1.00 0.00 H new ATOM 0 HA ASP A 102 6.341 15.163 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.567 15.502 7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.926 16.450 8.519 1.00 0.00 H new ATOM 1633 N ARG A 103 5.525 12.945 8.964 1.00 0.00 N ATOM 1634 CA ARG A 103 5.964 12.176 10.143 1.00 0.00 C ATOM 1635 C ARG A 103 7.446 11.783 10.095 1.00 0.00 C ATOM 1636 O ARG A 103 8.066 11.641 11.149 1.00 0.00 O ATOM 1637 CB ARG A 103 5.091 10.913 10.276 1.00 0.00 C ATOM 1638 CG ARG A 103 5.122 10.226 11.654 1.00 0.00 C ATOM 1639 CD ARG A 103 4.548 11.070 12.804 1.00 0.00 C ATOM 1640 NE ARG A 103 3.124 11.415 12.596 1.00 0.00 N ATOM 1641 CZ ARG A 103 2.352 12.113 13.410 1.00 0.00 C ATOM 1642 NH1 ARG A 103 2.790 12.590 14.542 1.00 0.00 N ATOM 1643 NH2 ARG A 103 1.110 12.350 13.100 1.00 0.00 N ATOM 0 H ARG A 103 4.770 12.486 8.453 1.00 0.00 H new ATOM 0 HA ARG A 103 5.845 12.823 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.060 11.180 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.409 10.192 9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.563 9.292 11.592 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.153 9.965 11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.653 10.522 13.740 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.130 11.986 12.904 1.00 0.00 H new ATOM 0 HE ARG A 103 2.694 11.079 11.734 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.757 12.428 14.823 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.166 13.125 15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.727 11.996 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.520 12.890 13.734 1.00 0.00 H new ATOM 1657 N GLU A 104 8.011 11.613 8.897 1.00 0.00 N ATOM 1658 CA GLU A 104 9.397 11.161 8.705 1.00 0.00 C ATOM 1659 C GLU A 104 10.194 12.004 7.689 1.00 0.00 C ATOM 1660 O GLU A 104 11.392 12.208 7.899 1.00 0.00 O ATOM 1661 CB GLU A 104 9.403 9.659 8.370 1.00 0.00 C ATOM 1662 CG GLU A 104 8.822 9.298 6.998 1.00 0.00 C ATOM 1663 CD GLU A 104 9.929 9.147 5.940 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.625 8.106 5.956 1.00 0.00 O ATOM 1665 OE2 GLU A 104 10.107 10.071 5.114 1.00 0.00 O ATOM 0 H GLU A 104 7.516 11.786 8.022 1.00 0.00 H new ATOM 0 HA GLU A 104 9.928 11.315 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.429 9.295 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.839 9.129 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.259 8.367 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.120 10.070 6.684 1.00 0.00 H new ATOM 1672 N LYS A 105 9.522 12.563 6.667 1.00 0.00 N ATOM 1673 CA LYS A 105 10.004 13.548 5.675 1.00 0.00 C ATOM 1674 C LYS A 105 11.472 13.429 5.197 1.00 0.00 C ATOM 1675 O LYS A 105 12.120 14.445 4.938 1.00 0.00 O ATOM 1676 CB LYS A 105 9.604 14.965 6.142 1.00 0.00 C ATOM 1677 CG LYS A 105 10.226 15.395 7.483 1.00 0.00 C ATOM 1678 CD LYS A 105 9.799 16.819 7.860 1.00 0.00 C ATOM 1679 CE LYS A 105 10.388 17.189 9.226 1.00 0.00 C ATOM 1680 NZ LYS A 105 10.000 18.564 9.638 1.00 0.00 N ATOM 0 H LYS A 105 8.546 12.319 6.497 1.00 0.00 H new ATOM 0 HA LYS A 105 9.495 13.303 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.895 15.682 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.518 15.013 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.922 14.702 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.313 15.344 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.141 17.524 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.712 16.887 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.046 16.475 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.475 17.114 9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.417 18.779 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.348 19.248 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.964 18.628 9.700 1.00 0.00 H new ATOM 1694 N GLU A 106 12.014 12.216 5.046 1.00 0.00 N ATOM 1695 CA GLU A 106 13.420 12.010 4.632 1.00 0.00 C ATOM 1696 C GLU A 106 13.668 12.140 3.114 1.00 0.00 C ATOM 1697 O GLU A 106 14.817 12.073 2.668 1.00 0.00 O ATOM 1698 CB GLU A 106 14.008 10.703 5.200 1.00 0.00 C ATOM 1699 CG GLU A 106 13.604 9.410 4.473 1.00 0.00 C ATOM 1700 CD GLU A 106 14.433 8.201 4.958 1.00 0.00 C ATOM 1701 OE1 GLU A 106 14.561 7.976 6.188 1.00 0.00 O ATOM 1702 OE2 GLU A 106 14.989 7.467 4.104 1.00 0.00 O ATOM 0 H GLU A 106 11.500 11.349 5.204 1.00 0.00 H new ATOM 0 HA GLU A 106 13.964 12.842 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.095 10.780 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.709 10.617 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.544 9.215 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.741 9.538 3.399 1.00 0.00 H new ATOM 1709 N LEU A 107 12.610 12.331 2.313 1.00 0.00 N ATOM 1710 CA LEU A 107 12.645 12.582 0.865 1.00 0.00 C ATOM 1711 C LEU A 107 13.263 13.968 0.541 1.00 0.00 C ATOM 1712 O LEU A 107 12.569 14.928 0.193 1.00 0.00 O ATOM 1713 CB LEU A 107 11.224 12.362 0.293 1.00 0.00 C ATOM 1714 CG LEU A 107 11.191 11.892 -1.175 1.00 0.00 C ATOM 1715 CD1 LEU A 107 9.743 11.647 -1.600 1.00 0.00 C ATOM 1716 CD2 LEU A 107 11.809 12.876 -2.171 1.00 0.00 C ATOM 0 H LEU A 107 11.657 12.314 2.677 1.00 0.00 H new ATOM 0 HA LEU A 107 13.309 11.874 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.708 11.625 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 107 10.665 13.294 0.376 1.00 0.00 H new ATOM 0 HG LEU A 107 11.793 10.984 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.720 11.315 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.302 10.880 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.174 12.571 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.743 12.464 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.270 13.822 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.855 13.043 -1.916 1.00 0.00 H new ATOM 1728 N HIS A 108 14.582 14.084 0.727 1.00 0.00 N ATOM 1729 CA HIS A 108 15.382 15.299 0.500 1.00 0.00 C ATOM 1730 C HIS A 108 15.377 15.753 -0.974 1.00 0.00 C ATOM 1731 O HIS A 108 15.084 14.967 -1.883 1.00 0.00 O ATOM 1732 CB HIS A 108 16.818 15.049 1.009 1.00 0.00 C ATOM 1733 CG HIS A 108 17.537 16.290 1.487 1.00 0.00 C ATOM 1734 ND1 HIS A 108 18.282 17.177 0.723 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.588 16.724 2.784 1.00 0.00 C ATOM 1736 CE1 HIS A 108 18.770 18.129 1.543 1.00 0.00 C ATOM 1737 NE2 HIS A 108 18.361 17.872 2.802 1.00 0.00 N ATOM 0 H HIS A 108 15.149 13.301 1.054 1.00 0.00 H new ATOM 0 HA HIS A 108 14.929 16.118 1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.780 14.328 1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.400 14.593 0.208 1.00 0.00 H new ATOM 0 HD1 HIS A 108 18.434 17.119 -0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.114 16.258 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 108 19.388 18.962 1.241 1.00 0.00 H new ATOM 1746 N GLN A 109 15.775 17.006 -1.205 1.00 0.00 N ATOM 1747 CA GLN A 109 15.943 17.647 -2.525 1.00 0.00 C ATOM 1748 C GLN A 109 17.407 18.035 -2.823 1.00 0.00 C ATOM 1749 O GLN A 109 17.682 18.520 -3.944 1.00 0.00 O ATOM 1750 CB GLN A 109 14.963 18.833 -2.636 1.00 0.00 C ATOM 1751 CG GLN A 109 15.235 19.969 -1.634 1.00 0.00 C ATOM 1752 CD GLN A 109 14.214 21.103 -1.767 1.00 0.00 C ATOM 1753 OE1 GLN A 109 14.385 22.055 -2.522 1.00 0.00 O ATOM 1754 NE2 GLN A 109 13.107 21.054 -1.051 1.00 0.00 N ATOM 1755 OXT GLN A 109 18.279 17.817 -1.950 1.00 0.00 O ATOM 0 H GLN A 109 16.003 17.641 -0.440 1.00 0.00 H new ATOM 0 HA GLN A 109 15.697 16.923 -3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.011 19.236 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 109 13.947 18.466 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 109 15.207 19.572 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 109 16.238 20.363 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.944 20.272 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.414 21.798 -1.132 1.00 0.00 H new TER 1764 GLN A 109